Talks and posters  starting from 1999



 

    Year 1999

  1. M. Stener, G. Fronzoni, S. Furlan and P. Decleva
    “Photoionization by TD-DFT and exchange correlation potential with correct asymptotic behaviour”
    "8th International Conference On the Applications of the Density Functional Theory to Chemistry and Physics"
    Roma,  6 - 10 settembre 1999 (Poster)
  2. P. Decleva , G. Fronzoni, M. Stener and G. De Alti
    “Photoionization of C60 and M@C60 by large scale LDA continuum calculations”
    "8th International Conference On the Applications of the Density Functional Theory to Chemistry and Physics"
    Roma,  6 - 10 settembre 1999 (Poster).
  3. G. Fronzoni, M. Stener and P. Decleva
    “Studio teorico degli spettri NEXAFS Cl 1s e 2p di Cl2, ClF e ClF3”
    “XXV Congresso Internazionale dei Chimici Teorici di Espressione Latina”
    Napoli, 13 – 18 settembre 1999 (Poster)
  4. M. Stener, G. Fronzoni, S. Furlan and P. Decleva
    “Photoionization by TD-DFT and exchange correlation potential with correct asymptotic behaviour”
    "XXX Congresso Nazionale della Divisione di Chimica Fisica della Societa' Chimica Italiana"
    Firenze, 26 settembre – 1 ottobre 1999 (Poster)
  5. P. Decleva , G. Fronzoni, M. Stener and G. De Alti
    “Photoionization of C60 and M@C60 by large scale LDA continuum calculations”
    "XXX Congresso Nazionale della Divisione di Chimica Fisica della Societa' Chimica Italiana"
    Firenze, 26 settembre – 1 ottobre 1999 (Comunicazione orale).
  6. P. Decleva, G. Fronzoni and M. Stener
    “Fotoionizzazione di C60 e M@C60 con calcoli accurati LDA per il continuo”
    “XXV Congresso Internazionale dei Chimici Teorici di Espressione Latina”
    Napoli, 13 – 18 settembre 1999 (Comunicazione orale)
  7. G. Fronzoni, P. Decleva e G. De Alti
    “Calcoli teorici altamente correlati degli spettri di shake-up C1s e O1s di CO”
    "XXX Congresso Nazionale della Divisione di Chimica Fisica della Societa' Chimica Italiana"
    Firenze, 26 settembre – 1 ottobre 1999 (Poster).
  8. P. Decleva
    “Excited States”
    “Joint ITP/INT Workshop on Time-Dependent Density Functional Theory”
    Institute for Theoretical Physics, University of California, Santa Barbara (USA) (1999) (Comunicazione orale)
  9. S. Coriani
    “ Gauge-origin invariant magneto-optical activity within coupled cluster response theory”
    “Italian-Swedish Workshop in Quantum Chemistry”
    Stockholm, Sweden, June 22-24, 1999 (Comunicazione orale)
  10. A. Rizzo, S. Coriani, C. Haettig, A. Halkier
    “ The electric-field-gradient-induced birefringence of a polar molecule: CO”
    “American Conference in Theoretical Chemistry, ACTC 99”
    Boulder, Colorado, USA, June 28-July 2, 1999 (Poster)
  11. S. Coriani, C. Haettig, P. Joergensen, T. Helgaker
    “ Gauge-origin independent magneto-optical activity within coupled cluster response theory”
    “American Conference in Theoretical Chemistry, ACTC 99”
    Boulder, Colorado, USA, June 28-July 2, 1999 (Poster)
  12. S. Coriani
    “ Gauge-origin independent magneto-optical activity within coupled cluster response theory”
    “7th International Conference on Circular Dichroism”
    Mierki, Poland, August 25--29, 1999 (Poster)
  13. S. Coriani
    “ Linear birefringence effects and magneto-optical activity within coupled cluster response theory: the electric-field-gradient induced birefringence of atoms and molecules”
    ``30-aars jubilaeumssymposium. Sektionen for Teoretisk Kemi, Kemisk Forening"
    Odense, Denmark, October 19, 1999 (Oral comunication)
  14. TOP

    Year 2000

  15. M. Stener and P. Decleva
    “Time – Dependent Density Functional calculations of molecular photoionization cross section: N2 and PH3”
    “Xth International Congress of Quantum Chemistry”
    Mentone (Francia) 5-10 giugno 2000 (Poster).
  16. P. Decleva, P. Colavita, G. Fronzoni and M. Stener
    “DFT calculations of photoionization of C60 and M@C60 “
    “Xth International Congress of Quantum Chemistry”
    Mentone (Francia) 5-10 giugno 2000 (Poster)
  17. S. Coriani
    "The electric field gradient induced birefringence and the molecular quadrupole moments of linear molecules"
    “ EU/RTN network meeting on: Molecular properties and molecular materials (MOLPROP)”
    Stockholm, Sweden, May 28-29, 2000 (Oral comunication)

  18. TOP

    Year 2001



  19. G. Fronzoni, M. Stener and P. Decleva
    "Theoretical study of photoionization processes in organometallic compounds "
    "XXXI Congresso Nazionale della Divisione di  Chimica Fisica della Società Chimica Italiana"
    Padova, giugno 2001 (poster)
  20. M. Stener, G. Fronzoni and P. Decleva
    "Calculations of photoemission profiles of C60 and endohedral compounds"
    "XXXI Congresso Nazionale della Divisione di  Chimica Fisica della Società Chimica Italiana”
    Padova,  giugno 2001 (poster)
  21. G. Fronzoni, M. Stener and P. Decleva
    "Theoretical study of photoionization processes in organometallic compounds "
    "Thirteenth International Conference on Vacuum Ultraviolet Radiation Physics (VUV-XIII)"
    Trieste, 23-27 luglio 2001 (poster).
  22. M. Stener, G. Fronzoni and P. Decleva
    "Calculations of photoemission profiles of C60 and endohedral compounds"
    "Thirteenth International Conference on Vacuum Ultraviolet Radiation Physics (VUV-XIII)"
    Trieste, 23-27 luglio 2001 (poster)
  23. M. Stener, G. Fronzoni,  and P. Decleva,
    "Time Dependent Density Functional B-spline calculation of molecular photoionization "
    "9th International Conference On the Applications of the Density Functional Theory to Chemistry and Physics"
    Madrid,  10 - 14 settembre 2001 (poster)
  24. M. Stener and P. Decleva
    "Approccio Time Dependent - Density Functional Theory alla fotoionizzazione "
    "Riunione scientifica Programma di Ricerche Cofinanziate MURST 2000-2002"
    Pisa 23 febbraio 2001 (comunicazione orale)
  25. D. Toffoli
    "Fotoionizzazione atomica con algoritmo TDLDA relativistico"
    "Riunione scientifica Programma di Ricerche Cofinanziate MURST 2000-2002"
    Roma 27 giugno 2001 (comunicazione orale)
  26. S. Coriani
    "Molecular properties within coupled cluster response theory"
    "Riunione scientifica Programma di Ricerche Cofinanziate MURST 2000-2002"
    Roma 27 giugno 2001 (comunicazione orale)
  27. D. Toffoli
    "Fotoionizzazione atomica con algoritmo TDLDA relativistico"
    "1° Sigma Aldrich Young Chemists Symposium"
    Riccione 18-19 ottobre 2001 (poster)
  28. P. Decleva, G. Fronzoni, M. Stener and D. Toffoli
    "Progress in LDA and TDLDA calculations of molecular photoionization"
    "Italian – Swedish Workshop in Spectroscopy with Synchrotron Radiation: Experiment and Theory"
    Stockholm, Sweden, 7-8 dicembre 2001 (comunicazione orale)
  29. P. Decleva
    "Basi di B-splines per la soluzione dell’equazione di Schrödinger 3D: applicazioni alla fotoionizzazione molecolare"
    "Minisimposio di chimica teorica in Onore del Prof. Roberto Moccia"
    Pisa 24 febbraio 2001 (comunicazione orale)
  30. P. Decleva
    "Report on recent progresses on the calculation of the atomic and molecular photoionization"
    "Workshop on chemistry and synchrotron radiation: actual programs and future perspectives at Elettra"
    Trieste 28 e 29 maggio 2001 (comunicazione orale)

    TOP

    Year 2002



  31. S. Coriani.
    ``Ab initio investigation of magnetochiral birefringence".
    "Midterm Review Meeting and Second Network Coordination Meeting for the European HPRN network Molecular Properties and Molecular Materials HPRN-2000-00013 (MOLPROP)"
    Gentofte, Danimarca, 24-26 gennaio 2002. Comunicazione orale.
  32. S. Coriani, K. Hald, A. Halkier, C. Hättig, T. Helgaker, P. Jørgensen.
    ``A Lagrangian, integral-density direct formulation of the analytic CCSD and CCSD(T) gradients."
    "Twelfth European Seminar on Computational Methods in Quantum Chemistry (12th Strasbourg Seminar)"
    Zeist,  Olanda, 18-22 settembre 2002. Poster.
  33. A. Rizzo, S. Coriani, M. Pecul, M. Jaszunski,  P. Jørgensen.
    ``Birefringences: Recent Developments".
    "Twelfth European Seminar on Computational Methods in Quantum Chemistry (12th Strasbourg Seminar)"
    Zeist, Olanda, 18-22 settembre 2002. Poster.
  34. P. Decleva, G. Fronzoni,  and M. Stener
    “Valence and core photoemission in M@C60 ( M = Be, Mg, Ca )”
    “19th International Conference on X-ray and Inner-Shell Processes”
    Università di Roma “La Sapienza”, 24 – 28 giugno 2002 (poster).
  35. M. Stener, G. Fronzoni,  and P. Decleva
    “Photoionization of oriented molecules: a time dependent density functional approach”
    “19th International Conference on X-ray and Inner-Shell Processes”
    Università di Roma “La Sapienza”, 24 – 28 giugno 2002 (poster).
  36. M. Stener and G. Fronzoni
    ”Time Dependent Density Functional B-spline calculation of molecular photoionization”
    “Fourth Congress of the International Society for Theoretical Chemical Physics”
    Marly-le-Roi (Parigi) , Francia, 9 – 16 luglio 2002 (poster).
  37. G. Fronzoni and M. Stener
    “TD-DFT calculations of core excitations in large systems”
    “Fourth Congress of the International Society for Theoretical Chemical Physics”
    Marly-le-Roi (Parigi) , Francia, 9 – 16 luglio 2002 (poster).
  38. Corrado Crotti, Teresa Celestino, Erica Farnetti, Mauro Stener and Stefano Fontana
    “Synchrotron radiation photoemission study of tungsten carbonyl complexes”
    "XXX Congresso Nazionale della Divisione di Chimica Inorganica della Societa’ Chimica Italiana"
    Modena 15 – 19 settembre 2002 (comunicazione orale).
  39. Tsustomu Watanabe and Mauro Stener
    “Penning Ionization of Axial Symmetric Molecules by Optically Allowed Excited Atoms”
    "The Vth Asian International Seminar on Atomic and Molecular Physics"
    Nara-ken New Public Hall, Nara, Japan 2-5 October, 2002 (poster).
  40. M. Stener
    “Descrizione teorica della fotoemissione e del fotoassorbimento di atomi e molecole”
    "incontro scientifico COFIN"
    Universita’ di Siena 25 – 26 ottobre 2002, comunicazione orale.
  41. P. Decleva
    “Progress on least squares scheme in a B-spline basis for molecular continuum” ,Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany, seminaro su invito, gennaio 2002
  42. P.Decleva
    “Programmi paralleli per il calcolo del continuo elettronico molecolare per la fotoionizzazione e lo scattering. Implementazione MPI,  prestazioni e capacità attuali”, Workshop “La Nuova Convenzione CINECA/INSTM” CINECA (Bologna), 6 Settembre 2002
  43. P. Decleva
    “Status of bound and continuum state calculations on large polyatomic molecules with B-splines”
    "1st meeting of the COST working group D26/0002/02"
    Creta  17-18 ottobre 2002 (comunicazione orale).
  44. D. Toffoli
    “Fotoionizzazione atomica con algoritmo TDLDA relativistico”
    "incontro scientifico COFIN"
    Universita’ La Sapienza, Roma 27-28 giugno 2002 (comunicazione orale)

    TOP


    Year 2003

  45. M. Stener, G. Fronzoni and P. Decleva,
    “Descrizione della fotoionizzazione molecolare a livello DFT con funzioni di base B-spline”
    “XXI Congresso della Societa’ Chimica Italiana”, Torino, 22-27 giugno 2003, comunicazione orale.

  46. J. Schiessling, M. Stener, L. Kjeldgaard, T. Balasubramanian, P. Decleva, J. Nordgren and P. A. Brühwiler,
    “Angular Effects in Photoelectron Spectra of Solid and Monolayer C60
    ICESS-9 International Conference on Electronic Spectroscopy and Structure
    Uppsala (Svezia), 30 giugno – 4 luglio 2003, comunicazione orale.

  47. M. Alagia, G. Contini, P. Decleva, G. Fronzoni, T. Prosperi, R. Richter, M. Stener, S. Stranges, S. Turchini and N. Zema,
    “Photoionization of chiral, radical and transient free molecules at ELETTRA ”
    ICESS-9 International Conference on Electronic Spectroscopy and Structure
    Uppsala (Svezia), 30 giugno – 4 luglio 2003, poster.

  48. P. Decleva,
    “Features in molecular photoionization ”
    2nd meeting of the COST working group D26/0002/02
    Université de Bordeaux I, Talence, France, 4 and 5 September 2003, comunicazione orale.

  49. M. Stener, G. Fronzoni and A. Reduce,
    “Studio TDDFT delle eccitazioni di core in modelli molecolari della solfito ossidasi ”
    GICC2003, V Edizione del Congresso del Gruppo Italiano di Chimica Computazionale
    Certosa di Pontignano, Siena, 18-19 dicembre 2003, comunicazione orale.

  50. J. L. Cacheiro, S. Coriani, D. Marchesan, B. Fernandez, C. Hattig, and A. Rizzo,
    “Frequency dependent electric interaction induced properties of the Ne2 and of the helium, neon and argon mixed van der Waals complexes ”
    GICC2003, V Edizione del Congresso del Gruppo Italiano di Chimica Computazionale
    Certosa di Pontignano, Siena, 18-19 dicembre 2003, poster.


  51. TOP


    Year 2004

  52. M. Stener,
    “ Time dependent density functional theory of core electron excitations ”
    DEMOCRITOS INFORMAL SEMINAR, SISSA, Trieste, 12 febbraio 2004.

  53. J. Schiessling, M. Stener , T. Balasubramanian , L. Kjeldgaard, P. Decleva, J. Nordgren and P. A. Brühwiler,
    "Identification of molecular orbital components of C60 on Al(110)",
    "205th Meeting of The Electrochemical Society", 9-14 May 2004, San Antonio, Texas, USA.

  54. P. Decleva, G. Fronzoni and M.Stener
    "Large Scale Photoemission Calculations: Algorithm, Performance and Applications"
    "The ninth meeting of the IBM System Scientific Computing User Group (ScicomP9)"
    March 23-26, 2004, Bologna (Italy), comunicazione orale.

  55. S. Turchini, N. Zema, G. Contini, G. Alberti, M. Alagia, S. Stranges, G. Fronzoni, M. Stener, P. Decleva and T. Prosperi
    "Circular Dichroism in the Angular Distribution of Photoelectrons from Chiral Molecules: Experiment and Theory on R(+) and S(-) Methyl-oxiranes"
    INFMEETING 2004, Convegno nazionale per la Ricerca Interdisciplinare in Fisica della materia (CNR-INFM), Genova 8-10 giugno 2004, poster.
  56. M. Stener, R. De Francesco, G. Fronzoni
    "Eccitazioni di core in ossidi metallici: studio TDDFT con modelli a cluster"
    Divisione di Chimica Fisica - Societą Chimica Italiana, XXXIII Congresso Nazionale, 21 - 25 Giugno 2004, Napoli - Complesso Universitario di Monte S. Angelo, poster.
  57. D. Marchesan, S. Coriani, C. Forzato, P. Nitti, G. Pitacco, K. Ruud
    ``The solvent effect on conformational distributions and optical activity of paraconic acid family of gamma-butyrolactones"
    Divisione di Chimica Fisica - Societą Chimica Italiana, XXXIII Congresso Nazionale, 21 - 25 Giug no 2004, Napoli - Complesso Universitario di Monte S. Angelo, poster
  58. S. Coriani, D. Marchesan, C. Haettig, T. Helgaker, P. Joergensen
    ``Accurate geometries from ab initio calculation: systems containing second row atoms"
    ``Molecular Quantum Mechanics: the No Nonsense Path to Progress. An International Conference in Honour of Professor Nicholas Handy"
    Cambridge, UK, July 24-29, 2004, poster
  59. S. Coriani, D. Marchesan, C. Haettig, T. Helgaker, P. Joergensen, W. Klopper, J. Gauss. ``On the accurate determination of static and frequency dependent molecular properties''
    ``Italian-Norwegian-Swedish Workshop on Quantum Molecular Sciences"
    Tromsoe, Norway. September , 17-20, 2004, comunicazione orale
  60. P. Decleva, G. Fronzoni, M. Stener
    "Recent results in molecular photoionization" ``Italian-Norwegian-Swedish Workshop on Quantum Molecular Sciences"
    Tromsoe, Norway. September , 17-20, 2004, comunicazione orale
  61. D. Marchesan
    "Effect of conformational flexibility and solute-solvent interaction on the determination of molecular optical activity"
    Norwegian University of Science and Technology, Trondheim (Norway), September 21st 2004, seminario.
  62. P. Decleva, G. Fronzoni, M. Stener
    "Photoionization of small polyatomic molecules (Theory)"
    3rd meeting of the COST working group D26/0002/02: "B-spline basis sets in laser-molecule interactions: ionisation and active control of chemical reactions", Universitą di Trieste, Italy, 1 and 2 October 2004, comunicazione orale.
  63. M. Stener
    " Photoionization of large polyatomic molecules and clusters (Theory)"
    3rd meeting of the COST working group D26/0002/02: "B-spline basis sets in laser-molecule interactions: ionisation and active control of chemical reactions", Universitą di Trieste, Italy, 1 and 2 October 2004, comunicazione orale.
  64. M. Stener
    "Density Functional Theory of Photoionization"
    Nottingham University (England), 3 November 2004, invited talk.
  65. M. Stener
    "Quantum chemistry approaches to predict ion fragmentation in the gas phase"
    Shimadzu Research Laboratory (Europe)LTD., Manchester, England, 5 November 2004, invited talk.

  66. TOP


    Year 2005

  67. S. Coriani
    "On the accurate determination of molecular structures and frequency dependent properties" (talk)
    Mid-term evaluation Meeting of the COST Chemistry Action D26/012/02
    Karlsruhe, Germany, January 26, 2005.
  68. D. Di Tommaso and P. Decleva
    "Are Branching Ratios Statistical in Core Ionization? A multicenter B-spline DFT study"
    'Computational Tools for Molecules, Clusters and Nanostructures'
    Karlsruhe, Germany, January 23-26, 2005. (poster)
  69. M. Stener, R. De Francesco, G. Fronzoni
    "Eccitazioni di core in ossidi metallici: studio TDDFT con modelli a cluster"
    III Scuola Nazionale in Simulazioni Computazionali Multiscala Applicate alle Scienze dei Materiali, 14-18 febbraio 2005, Modena - Universitą di Modena e Reggio Emilia (poster)
  70. M. Stener
    "Molecular Photoionization: a density functional approach with applications to circular dichroism in photoelectron angular distribution"
    International Networking for Young Scientists: "Chirality in Molecular Physics"
    British Council, Paris, France, 7-11 March 2005 (invited talk)
  71. Piero Decleva
    Report of the WG 2 "B-spline basis sets in laser-molecule interactions: ionisation, dissociation and active control of chemical reactions". Part II. (talk)
    COST Chemistry D26, Integrative Computational Chemistry. Midterm
    Evaluation Conference. Fisher's Hotel, Pitlochry, Scotland. 5-8 May 2005
  72. Sonia Coriani
    Report of the WG 12: "Towards a new level of accuracy in computations of molecular structure, molecular properties, spectroscopy and thermo-chemistry". Part II. (talk)
    COST Chemistry D26, Integrative Computational Chemistry. Midterm
    Evaluation Conference. Fisher's Hotel, Pitlochry, Scotland. 5-8 May 2005
  73. S. Coriani, P. Decleva, G. Fronzoni, M. Stener, R. De Francesco, D. Di Tommaso e D. Toffoli
    "Struttura elettronica e spettri di eccitazione di cluster finiti"
    Workshop presentazione Centro Interdipartimentale per le Scienze Computazionali (CISC)
    Universita' di Trieste, 15 giugno 2005 (talk)
  74. S. Coriani
    "Determinazione di proprietą molecolari con metodi di struttura elettronica: il programma Dalton"
    Workshop presentazione Centro Interdipartimentale per le Scienze Computazionali (CISC)
    Universita' di Trieste, 15 giugno 2005 (talk)
  75. P. Decleva
    "Excitation and Photoemission Spectra in Finite Systems"
    Workshop Theory@Elettra, Trieste, 5-6 July 2005 (talk)
  76. M. Stener, G. Fronzoni and P. Decleva
    "Time Dependent Density Functional Theory for molecular photoionization with non-iterative algorithm and multicenter B-spline basis set: implementation and applications",
    "11th International Conference On the Applications of the Density Functional Theory to Chemistry and Physics",
    Geneve, 11 - 15 September 2005, (poster).
  77. G. Fronzoni, R. De Francesco, M. Stener and M. Causą,
    "Time Dependent Density Functional Theory of X-ray absorption spectroscopy of metal oxides",
    "11th International Conference On the Applications of the Density Functional Theory to Chemistry and Physics",
    Geneve, 11 - 15 September 2005, (poster).
  78. D. Di Tommaso, M. Stener and P. Decleva
    " Calculation of the Circular Dichroism in the photoelectron Angular Distribution with the LCAO B-spline DFT method"
    "11th International Conference On the Applications of the Density Functional Theory to Chemistry and Physics",
    Geneve, 11 - 15 September 2005, (poster).
  79. S. Coriani
    "Recent developments in the determination of molecular properties: Atomic orbital based Response Theory" (Invited talk).
    13th European Seminar on Computation Methods in Quantum Chemistry (13th Strasbourg Seminar).
    Smolenice, Slovak Republic. 21-25 September 2005
  80. P. Decleva
    "Response Effects in Molecular Photoionization"
    4th COST Meeting, WG D26/0002/02
    Berlin, 11-13 November 2005, (talk)
  81. M. Stener e G. Fronzoni
    "Time Dependent DFT per lo studio di sistemi estesi" (talk)
    Presentazione SeaSandS 19-20 dicembre 2005
    Dip. di Chimica Universitą Federico II, Complesso Universitario Monte Sant'Angelo, Napoli
  82. G. Fronzoni, R. De Francesco, M. Stener and M. Causa'
    "Time Dependent Density Functional Theory of X-ray absorption spectroscopy of metal oxides"
    XIII Elettra Users' Meeting, Satellite Workshop "Computer Simulations of Surface and Interface Phenomena"
    Trieste, 15-16 December 2005 (poster)
  83. P. Decleva
    "Photoemission in finite systems: DFT and TDDFT approaches"
    XIII Elettra Users' Meeting, Satellite Workshop "Computer Simulations of Surface and Interface Phenomena"
    Trieste, 15-16 December 2005 (invited talk)
  84. TOP


    Year 2006

  85. G. Fronzoni, R. De Francesco, M. Stener and M. Causa'
    "X-Ray absorption spectroscopy of alkaline-earth and transition metal oxides by Time Dependent Density Functional Theory"
    DFTEM2006 - International Conference on Density Functional Theory (DFT) and Transmission Electron Microscopy (TEM)
    Vienna, April 21 - 23, 2006 (poster)
  86. R. De Francesco, G. Fronzoni and M. Stener
    "Calcoli di spettri XAS di ossidi metallici: studio TDDFT con modelli a cluster"
    GC2006 - I giovani e la chimica in Friuli Venezia Giulia, Trieste, May 5, 2006 (talk)
  87. R. De Francesco, G. Fronzoni, M. Stener and M. Causa'
    "Time Dependent Density Functional Theory of X-ray Absorption Spectroscopy of bulk metal oxides and small adsorbed molecules"
    MSSC2006 - Ab initio Modeling in Solid State Chemistry
    Torino, September 3 - 8, 2006 (poster)
  88. S. Coriani
    ``On the Buckingham Birefringence in Atoms and Molecules''
    (Invited Talk) ``Linear and Non-linear Optical Properties. A Theoretical Chemistry Symposium dedicated to Professor A. D. Buckingham''
    International Conference of Computational Methods in Sciences and Engineering (ICCMSE 2006)
    Chania, Crete. October 27-November 1 2006
  89. G. Fronzoni, R. De Francesco e M. Stener
    "Calcoli TDDFT di eccitazioni di core in ossidi metallici e molecole adsorbite su superfici"
    GICC2006, VI Convegno nazionale del Gruppo Interdivisionale di Chimica Computazionale, Isola di San Servolo, Venezia 18-21 dicembre 2006 (comunicazione orale).
  90. M. Stener, A. Nardelli, R. De Francesco and G. Fronzoni
    "Valence electron excitations in gold clusters: a scalar relativistic TDDFT study"
    GICC2006, VI Convegno nazionale del Gruppo Interdivisionale di Chimica Computazionale, Isola di San Servolo, Venezia 18-21 dicembre 2006 (poster).
  91. S. Coriani, S. Hoest, B. Jansik, L. Thoegersen, J. Olsen, P. Joergensen, S. Reine, F. Pawlowski, T. Helgaker and P. Salek
    ``A linear-scaling implementation of molecular response theory in self-consistent electronic structure theory''
    (Poster) VI Convegno Nazionale del Gruppo Interdivisionale di Chimica Computazionale della Societa' Chimica Italiana (GICC06)
    Isola di San Servolo, Venezia. December 18-21, 2006.
  92. TOP


    Year 2007

  93. Sonia Coriani
    'A Linear-Scaling Implementation of Molecular Response Theory in Self-Consistent Field Electronic-Structure Theory'
    NANOQUANT, the end-of-the-project meeting, WARSAW 2007
    Hotel Sobieski, Plac Artura Zawiszy 1, 02-025 Warsaw, March 16-17, 2007
  94. P. Decleva
    "B-spline basis sets in laser-molecule interactions: ionisation, dissociation and active control of chemical reactions"
    COST D26 Final Meeting
    Palermo 30-31 March 2007
  95. P. Decleva
    "Response effects in molecular photoionization"
    Convegno Prin "Molecular Quantum Mechanics: New Models for New Experiments"
    Roma 3-4 maggio 2007, comunicazione orale
  96. P. Decleva, G. Fronzoni and M. Stener
    "Resonances in Transition Metal Complexes by TDDFT Calculations"
    ECAMP IX, Heraklion, Creta, 6-11 maggio 2007, comunicazione orale
  97. P. Bolognesi, V. Feyer, R. Flammini, L. Avaldi, D. Toffoli, P. Decleva
    "Photoionization of N2 valence shell between 200 and 400 eV: Dipole and Non-Dipole parameters"
    ECAMP IX, Heraklion, Creta, 6-11 maggio 2007, poster
  98. M. Stener, M. Causą, R. De Francesco, G. Fronzoni, A. Nardelli, L. Pasquato
    "Core and valence TDDFT studies on bulk, nanostructured materials and surface adsorbed molecules"
    INSTM2007, VI Convegno nazionale sulla Scienza e tecnologia dei materiali,
    Universita' degli Studi di Perugia, Aula Magna, 12-15 Giugno 2007 (poster).
  99. M. Stener
    "Applications of TDDFT to material science: core electron
    excitations of bulk materials and optical spectra of gold nanoparticles"
    NNL (National Nanotechnology Laboratories) of CNR-INFM, Universita' degli Studi di Lecce
    20 giugno 2007, seminario su invito
  100. P. Bolognesi, V. Feyer, R. Flammini, L. Avaldi, D. Toffoli, P. Decleva
    "Photoionization of N2 valence shell between 200 and 400 eV: dipole and non-dipole parameters"
    XXV ICPEAC, Freiburg, 25-31 July 2007
  101. T. Teramoto, J. Adachi, K. Hosaka, M. Yamazaki, K. Yamanouchi, N. A. Cherepkov, M. Stener, P. Decleva and A. Yagishita
    "New approach for a complete experiment: C1s photoionization in CO2 molecules"
    XXV ICPEAC, Freiburg, 25-31 July 2007
  102. Saenz A., Awasthi M., Castro A. and Decleva P.
    "Molecules in strong laser fields: solution of the time-dependent Schrödinger equation in the single-active-electron approximation"
    XXV ICPEAC, Freiburg, 25-31 July 2007
  103. A. Yagishita, T. Teramoto, J. Adachi, K. Hosaka, M. Yamazaki, K. Yamanouchi, N. Cherepkov, M. Stener, P. Decleva
    "New approach for a complete experiment: C1s photoionization of CO2 and CS2 molecules"
    XV VUV, Berlin, 29 July - 3 August 2007.
  104. S. Coriani
    "Molecular Response Properties of large systems: recent developments"
    Department of Chemistry, Oslo University (Norvegia) October 19, 2007 (talk).
  105. TOP


    Year 2008

  106. P. Decleva
    "Photoionization: Theory and computation"
    Gordon Research Conference: "Photoions, Photoionization & Photodetachment"
    January 27 - February 1, 2008, Il Ciocco Hotel and Resort, Lucca (Barga), Italy
  107. S. Coriani
    "Molecular Response Properties of large systems: recent developments"
    Oral communication. "XXXVII Congresso Nazionale della Sezione di Chimica Fisica della Società Chimica Italiana"
    Camogli, Genova, February 28, 2008
  108. Sonia Coriani
    "Challenging the limits of the quantum-chemical modelling of molecular response properties".
    Invited seminar. March 11, 2008. Lille Auditorium (B203), Realfag, University of Tromsų, Norway
  109. P. Decleva
    "DFT and TDDFT Approach To Photoionization Dynamics"
    Stochholm, KTH, Theoretical Chemistry, 22.05.2008, invited talk
  110. P. Decleva
    "Photoionization dynamics in molecules by DFT and TDDFT approach"
    Dresden, MPIKS, 18.06.2008, invited talk
  111. A. Kivimäki, J. Įlvarez Ruiz, M. Coreno, M. Stankiewicz, M. de Simone, S. Svensson, G. Fronzoni and P. Decleva
    "A comparative photoionization study of sulfur L levels in the SF5CF3 and SF6 molecules"
    IPW, Uppsala, 15-19.06.2008
  112. S. Coriani, L. Ferrighi, C. Forzato, P. Nitti, M. Pianca, G. Pitacco.
    "Studio computazionale degli spettri di dicroismo circolare elettronico di gamma-metil derivati dell'acido paraconico".
    POSTER. COFEM 2008, Giornate di Chimica Organica Fisica e Meccanicistica,
    Sestri Levante (GE), 24-26 settembre 2008.
  113. P. Decleva
    "B-Splines in molecular structure and dynamics"
    The first Meeting of the COST Ation CM0702 :
    Chemistry with Ultrashort Pulses and Free-Electron Lasers:
    Looking for Control Strategies Through "Exact" Computations (CUSPFEL)
    Bordeaux (France) 16 - 17 October 2008
  114. M. Stener, P. Decleva and G. Fronzoni
    "Response effects in photoemission of transition metal compounds by TDDFT"
    The first Meeting of the COST Ation CM0702 :
    Chemistry with Ultrashort Pulses and Free-Electron Lasers:
    Looking for Control Strategies Through "Exact" Computations (CUSPFEL)
    Bordeaux (France) 16 - 17 October 2008
  115. Sonia Coriani
    "In silico determination of magnetic circular dichroism parameters and spectra" (invited talk)
    Trends in quantum chemistry. A meeting for the future purposes and methods. Lundbeck Foundation Center for Theoretical Chemistry at Aarhus University, Denmark December 12-14, 2008
  116. P. Decleva
    "Molecules in Strong Field: Lasers, FELS and all that"
    Winter Modelling 2008, Pisa, 19th December 2008, invited seminar
  117. S. Coriani
    "In silico determination of magnetic circular dichroism parameters and spectra"
    Invited talk. Winter Modeling, Pisa, Italy. December 19, 2008
  118. TOP


    Year 2009

  119. M. Stener, G. Fronzoni, A. Nardelli and R. De Francesco
    "Photoabsorption of gold nanoparticles: a TDDFT analysis by cluster model"
    Theoretical Tools for In-silico Spectroscopy (TheTIS)
    Pisa, 18-20 February 2009, Oral contribution
  120. P. Decleva
    "A DFT SAE model for molecular strong field ionization"
    Workshop "Nanoscale Modelling of new molecular experiments:
    Theoretical and Computational Simulations"
    Roma, March 6th 2009, Oral contribution
  121. S. Coriani
    "In silico determination of magnetic circular dichroism parameters and spectra"
    Workshop "Nanoscale Modelling of new molecular experiments: Theoretical and Computational Simulations"
    Roma, March 6th 2009, Oral contribution
  122. S. Coriani
    "Response Function Theory computational approaches to linear and non-linear optical properties and spectroscopies"
    Dipartimento di Scienze Chimiche, Universitą degli studi di Padova, 19/03/2009. Invited seminar.
  123. S. Coriani, T. Kjęrgaard, P. Jųrgensen, A. Thorvaldsen, K. Ruud, R. Berger
    ''In silico determination of optical and spectroscopic properties: a few recent methodological and applicative results'' (poster)
    Molecular Properties '09- Bridging the gap between theory and experiment
    An ICQC 2009 satellite symposium. June 18-21, Oslo, Norway
  124. Sonia Coriani
    "Theoretical determination of spectroscopic properties: a few recent methodological and applicative results" (invited seminar)
    Theoretical Chemistry Colloquia, Ruhr-Universität Bochum (RUB)
    Germany, July 08, 2009
  125. Sonia Coriani
    "Geometric and magnetic gradients of linear response properties: A Lagrangian approach within TD-HF and TD-DFT" (Plenary lecture)
    XXXV Congress of Theoretical Chemists of Latin Expression (QUITEL),
    San Andres Island, Colombia, Sept. 18-22, 2009
  126. P. Decleva, G. Fronzoni, M. Stener, M.Coreno, M. de Simone
    "Autoionization Resonances in Photoemission of Transition Metal Compounds by TDDFT"
    Cecam-LighTnet Workshop, "Computational ChallengesEmerging from Next Generation Light Sources,
    Desy, Hamburg October 10-13,2009, invited talk
  127. M. Stener, P. Decleva, M. Yamazaki, J. Adachi, T. Teramoto and A. Yagishita
    "Photoelectron angular distribution from core ionization of a single oriented NO2 molecule"
    COST action CM0702, International Workshop on ATOMIC PHYSICS: "Ultra-fast dynamics in finite atomic and molecular systems probed with novel light sources",
    Max Planck Institute for the Physics of Complex Systems (MPIPKS), Dresden, 23 - 25 november 2009, poster.
  128. P. Decleva
    "Interferences in Molecular Ionization"
    COST action CM0702, International Workshop on ATOMIC PHYSICS: "Ultra-fast dynamics in finite atomic and molecular systems probed with novel light sources",
    Max Planck Institute for the Physics of Complex Systems (MPIPKS), Dresden, 23 - 25 november 2009, poster.
  129. P. Decleva
    "Resonances in transition metal compounds: from atoms to molecules"
    COST action CM0702, International Workshop on ATOMIC PHYSICS: "Ultra-fast dynamics in finite atomic and molecular systems probed with novel light sources",
    Max Planck Institute for the Physics of Complex Systems (MPIPKS), Dresden, 23 - 25 november 2009, invited talk.
  130. TOP


    Year 2010

  131. M. Stener
    "A TDDFT study on the dichroism in the photoelectron angular distribution from a chiral transition metal compound"
    Gordon Research Conference: "Photoions, Photoionization & Photodetachment"
    January 31 - February 5, 2010, Hotel Galvez, Galveston (Texas - USA)
    Invited talk.
  132. M. Stener
    "Resonances in chiral photoemission from a transition metal compound"
    COST ACTION CM0702, 1st Meeting of the WG2
    Universita' di Trieste, 22-24 April 2010, talk
  133. P. Decleva
    "An independent particle TDSE model for strong field molecular ionization."
    COST ACTION CM0702, 1st Meeting of the WG2
    Universita' di Trieste, 22-24 April 2010, talk
  134. D. Catone, S. Turchini, T. Prosperi, N. Zema, G. Contini, V. Feyer, M. Beccari, K. C. Prince, M. Stener, P. Decleva
    "Gas phase circular dichroism in the photoelectron spectroscopy of dissymmetric metal-organic complex: Co(III)-tris-(acetylacetonate)."
    XVIII Meeting of the Italian Society for Synchrotron Radiation (SILS 2010), 24-26 June 2010, Padova, Italy, poster.
  135. M. Stener, G. Fronzoni
    " The TDDFT approach for the description of core electron excitations in bulk materials and large clusters"
    Actinet I3 Workshop: Coupling XAS and Theoretical Chemistry for Heavy Atoms. Avignon (F), 23-24 June 2010, invited talk.
  136. D. Catone, S. Turchini, T. Prosperi, N. Zema, G. Contini, V. Feyer, M. Beccari, K. C. Prince, M. Stener, P. Decleva
    "gas phase circular dichroism in the photoelectron spectroscopy of asymmetric metal-organic complex: Co(III)-tris-(acetylacetonate)."
    10th European Conference on Atom, Molecules and Photons (ECAMP 10), Salamanca, Spain, July 4-9, 2010, poster.
  137. P. Decleva
    "Photoionization of Oriented Molecules"
    10th European Conference on Atom, Molecules and Photons (ECAMP 10), Salamanca, Spain, July 4-9, 2010, invited talk.
  138. P. Decleva, S. Petretti, Y. Vanne, A. Saenz, A. Castro
    "Angular dependance of Strong Field ionization. A full single electron approach"
    10th European Conference on Atom, Molecules and Photons (ECAMP 10), Salamanca, Spain, July 4-9, 2010, poster.
  139. A. Saenz, S. Petretti, A. Castro, P.Decleva
    "Water Molecules in Ultrashort Intense Laser Pulses"
    10th European Conference on Atom, Molecules and Photons (ECAMP 10), Salamanca, Spain, July 4-9, 2010, poster.
  140. P. O' Keeffe, P. Bolognesi, R. Richter, A. Moise, L. Pravica, E. Ovcharenko, P. Decleva, A. Mihelic', L. Avaldi
    "Photoelectron Imaging in Pump-probe Experiments Combining Synchrotron and Laser Radiation"
    10th European Conference on Atom, Molecules and Photons (ECAMP 10), Salamanca, Spain, July 4-9, 2010, poster.
  141. E. Plesiat, S.E. Canton, P. Decleva, F. Martin
    "Theoretical Study of the Vibrationally resolved Photoionization Cross Section for the Valence Shells of N2 and CO"
    10th European Conference on Atom, Molecules and Photons (ECAMP 10), Salamanca, Spain, July 4-9, 2010, poster.
  142. E. Plesiat, P. Decleva, F. Martin
    "Theoretical Study of the Vibrationally resolved Photoionization Cross Section for the Inner Shells of N2 and CO"
    10th European Conference on Atom, Molecules and Photons (ECAMP 10), Salamanca, Spain, July 4-9, 2010, poster.
  143. A. Kivimaki, L. Avaldi, P. Bolognesi, M. Coreno, P. O'Keeffe, V. Feyer, J. Alvarez Ruiz, M. Stankiewicz, M. Stener, G. Fronzoni, P. Decleva
    "Photoabsorption, photoionization and photoelectron - Auger electron coincidence studies of the SF6 molecule at and above the S 2p edge"
    37th International Conference on Vacuum Ultraviolet and X-ray Physics (VUVX2010), University of British Columbia, Vancouver, BC, Canada,11-16 July 2010, poster.
  144. S. Coriani
    "Magneto-optical effects within response function theory"
    EuroMagNET II QUANTUM CHEMISTRY IN STRONG MAGNETIC FIELD workshop
    Toulouse, France, September 13-14, 2010 (invited talk)
  145. S. Coriani
    "Density-matrix based formulation of KS response theory with applications to linear and non-linear spectroscopies"
    Nordic-Chinese symposium on Molecular Bio- and Nanoscience Hefei, China, September 20-25, 2010 (invited talk)
  146. TOP


    Year 2011

  147. Mauro Stener, Nicola Durante and Alessandro Fortunelli
    "TDDFT computational study of optical photoabsorption in Aun and AunAgm nanoclusters"
    European Cost Action MP0903: "Nanoalloys as advanced materials: from structure to properties and applications"
    Joint Working Group Meetings, Faculty of Chemistry, Universitat de Barcelona, April 14-16, 2011 (invited talk)
  148. S. Coriani
    "Coupled cluster study of X-ray absorption spectroscopy: Near-edge x-ray fine structure from Lanczos-chain driven damped coupled cluster response theory"
    The Danish Chemical Society Annual Meeting 2011
    June 9, 20100, The University of Southern Denmark, Odense, Denmark Invited talk
  149. Sonia Coriani
    "Near-edge x-ray fine structure from Lanczos-chain driven damped coupled cluster response theory"
    European Seminaron Computational Methods in Quantum Chemistry 2011 (ESCMQCæ11)
    June 16, 2011 to June 19, 2011, Oscarsborg Fortress, Drųbak, Norway, contributed talk.
  150. Mauro Stener
    "TDDFT and DFT approaches for core electron excitations: molecules, bulk materials and large clusters"
    CECAM workshop on: "X-ray Spectroscopy : Recent Advances in Modelling and New Challenges"
    July 13, 2011 to July 15, 2011, CECAM-ETHZ, Zurich, Switzerland, keynote lecture.
  151. Sonia Coriani
    "Coupled cluster study of x-ray absorption spectroscopy: Near-edge x-ray fine structure from Lanczos-chain driven damped coupled cluster response theory"
    CECAM workshop on: "X-ray Spectroscopy : Recent Advances in Modelling and New Challenges"
    July 13, 2011 to July 15, 2011, CECAM-ETHZ, Zurich, Switzerland, contributed talk.
  152. Sonia Coriani
    "Coupled cluster study of near-edge x-ray absorption spectra"
    Ninth Triennal Congress of the World Association of Theoretical and Computational Chemists (WATOC-2011)
    July 17, 2011 to July 22, 2011, Santiago de Compostela, Spain, oral contribution.
  153. Sonia Coriani
    "Coupled cluster study of near-edge x-ray absorption spectra"
    ISTCP-VII: 7th congress of the International Society of Theoretical Chemical Physics
    September 2, 2011 to September 8, 2011, Waseda University, Tokyo, Japan, oral contribution.
  154. R. De Francesco, M. Stener, G. Fronzoni
    "X-Ray absorption spectroscopy at the L2,3 edges of transition metal oxides by relativistic time dependent density functional calculations"
    XXIV Congresso Nazionale della Societa' Chimica Italiana
    Lecce, 11 - 16 September 2011, poster.
  155. M. Romeo, R. De Francesco, M. Stener, G. Balducci, G. Fronzoni
    "C K-edge NEXAFS Spectra of Model Systems for C2H4 on Si(100): a DFT Simulation"
    XXIV Congresso Nazionale della Societa' Chimica Italiana
    Lecce, 11 - 16 September 2011, poster.
  156. R. De Francesco, G. Fronzoni, M. Stener
    "Theoretical study of near edge x-ray absorption fine structure spectra of metal phtalocyanines at C and N K-edges"
    XXIV Congresso Nazionale della Societa' Chimica Italiana
    Lecce, 11 - 16 September 2011, poster.
  157. Mauro Stener
    "Core electron excitations in molecules, large clusters and bulk materials: a TDDFT approach"
    Workshop: "Holistic Computational Spectroscopy"
    CMST Action CM1002 CODECS: COnvergent Distributed Environment for Computational Spectroscopy,
    Pisa, Scuola Normale Superiore, 16 - 18 novembre 2011, invited talk.
  158. TOP


    Year 2012

  159. G. Fronzoni
    "DFT simulation of NEXAFS spectra of molecules adsorbed on surfaces: C2H4 on Si(100) case study"
    Primo Congresso Nazionale della Divisione di Chimica Teorica e Computazionale della Societa' Chimica Italiana,
    Pisa, Area della Ricerca del CNR, 22 - 23 febbraio 2012, comunicazione orale.
  160. M. Stener , D. Catone, P. Decleva, G. Contini, N. Zema, T. Prosperi, V. Feyer, K. C. Prince, S. Turchini
    "Resonant Circular Dichroism of Chiral Metal-Organic complex"
    Primo Congresso Nazionale della Divisione di Chimica Teorica e Computazionale della Societa' Chimica Italiana,
    Pisa, Area della Ricerca del CNR, 22 - 23 febbraio 2012, poster.
  161. Sonia Coriani
    "Reliable modeling of light-matter interactions: challenging spectroscopies and exotic molecular properties"
    Department of Chemistry, University of Helsinki, Helsinki, Finland, April 13, 2012. Invited seminar
  162. Sonia Coriani
    "Coupled cluster methods for x-ray spectroscopy: the damped linear response function"
    Electronic Structure Theory for Strongly Correlated Systems. A Symposium in celebration of P. Aa. Malmqvist's 60th birthday.
    Hotel la Torre, Palermo, Italy, May 30-June 1, 2012. Invited talk
  163. Sonia Coriani
    "Accurate methods for accurate properties: challenging spectroscopies and "exotic" molecular properties"
    Symposium Accurate Methods for Accurate Properties, in celebration of the 60th birthday of Peter A. Taylor.
    University of Zurich, Switzerland, June 4-6, 2012. Invited talk
  164. M. Stener, Piero Decleva, Tomoya Mizuno, Jun-ichi Adachi, Misato Kazama, Hiroaki Yoshida, and Akira Yagishita
    "C1s and F1s photoelectron angular distribution from oriented CH3F molecules: a combined theoretical TDDFT and experimental study"
    MPS2012, International Conference on Many Particle Spectroscopy of Atoms, Molecules, Clusters and Surfaces,
    August 27 - September 1, 2012, Berlin (Germany), invited talk.
  165. S. Coriani
    Modeling the molecular response to electromagnetic radiation: in silico spectroscopies and (exotic) molecular properties.
    The Zernike Institute for Advanced Materials, University of Groningen,
    The Netherlands, November 20, 2012. Invited seminar.
  166. S. Coriani
    "Coupled Cluster response methods for X-ray absorption spectroscopies and photoionization cross sections".
    Workshop Computational advances in many-body methods, from first principle methods to density functional theories,
    A CMA-CTCC workshop on computational quantum mechanics.
    Department of Physics, University of Oslo, Norway. December 19-20, 2012. Invited talk.
  167. M. Stener
    "Recent advances in the theoretical description of photoelectron angular distribution"
    Scuola Normale Superiore, Pisa, December, 20th 2012
    Invited seminar
  168. TOP


    Year 2013

  169. S. Coriani
    "Correlated response methods to model absorption, ionization and scattering phenomena".
    II National Congress of the Division of Theoretical and Computational Chemistry of the Italian Chemical Society,
    Centro culturale Altinate/San Gaetano, Padova, Italy, February 20-22, 2013. Invited talk.
  170. M. Stener
    "TDDFT computational study of optical photoabsorption in AgnPtm nanoclusters"
    European Cost Action MP0903: "Nanoalloys as advanced materials: from structure to properties and applications"
    Workshop - Working groups 2 and 4, Domaine de Valpre'-Lyon, France, 7 - 9 April 2013, invited talk.
  171. M. Stener
    "Metal clusters: electronic structure and photoabsorption TDDFT calculations"
    Scuola di Dottorato in Scienze Molecolari, Universita' degli Studi di Padova, May 2nd 2013, invited seminar.
  172. S. Coriani.
    "(Damped) Coupled Cluster Linear Response Methods for x-ray absorption spectroscopies and photoionization cross sections".
    7th Molecular Quantum Mechanics (MQM) congress. Electron Correlation: The Many-Body Problem at the Heart of Chemistry. An International Conference in Honour of Rodney J. Bartlett.
    Palazzo dei Congressi, Lugano, Switzerland, June 2-7, 2013. Contributed talk.
  173. S. Coriani
    "(Damped) Response Methods for x-ray absorption spectroscopy, photoionization cross sections and other exotic molecular spectroscopies".
    International Conference: Very Large and Accurate Computations and Applications (VALCA 2013)
    Strand Hotel Fevik, Kristiansand, Norway, June 9-12 2013. Invited talk.
  174. S. Coriani
    "Modeling the molecular response to electromagnetic fields: challenging spectroscopies and exotic effects".
    AMO seminar, Department of Physics and Astronomy, Aarhus University, Denmark,
    September 12, 2013. Invited seminar.
  175. S. Coriani
    "In silico determination of optical and spectroscopic properties: from x-ray absorption to exotic effects in strong magnetic fields".
    Department of Chemistry, Norwegian University of Science and Technology (NTNU), Trondheim, Norway.
    November 13, 2013. Invited seminar.
  176. M. Stener
    "Playing with TDDFT algorithms: from photoionization of small molecules to photoabsorption of large systems"
    Invited seminar at the Computer Chemistry Center and the Chair of Theoretical Chemistry, Department Chemie und Pharmazie, Friedrich-Alexander-Universitaet Erlangen-Nuernberg
    December 9th 2013, Erlangen, Germany.
  177. TOP


    Year 2014

  178. M. Stener and O. Baseggio
    "TDDFT for large systems"
    Invited seminar at the ADF Developers Workshop, SCM, Vrije Universiteit Amsterdam,
    February 18-20, 2014, Amsterdam, The Netherland.
  179. O. Baseggio, G. Fronzoni and M. Stener
    "A New Valence Photoabsorption TDDFT Algorithm for Large Systems"
    Talk, Winter Modeling 2014,
    March 13-14, 2014, Modena, Italy.
  180. M. Stener, G. Barcaro, L. Sementa and A. Fortunelli
    "TDDFT computational study of optical photoabsorption in thiolate-protected AgnAum nanoclusters"
    European Cost Action MP0903: "COST Action MP0903 Final Conference" Hotel Regina Elena, Santa Margherita Ligure (Genova, Italy), 5 - 9 April 2014, invited talk.
  181. M. Stener
    'TDDFT and DFT approaches for NEXAFS: free molecules, bulk materials and adsorbed molecules'
    COST MP1306 EUSpec action first Whole Action Meeting, September 15-17, 2014 Catholic University of Louvain, Louvain la Neuve, Belgium, invited talk.
  182. S. Coriani.
    Playing with Response Theory (in describing light-matter interactions).
    "The Future of Electronic Structure Theory: Pushing our Understanding and Limits"
    Sandbjerg Estate, Denmark, September 7-10, 2014, (Invited talk)
  183. S. Coriani.
    Modeling the Molecular Response to Electromagnetic Fields: Old and New Spectroscopies and Exotic Effects.
    Current Topics in Theoretical Chemistry, CTTC2014,
    Nha Trang, Vietnam, August 25-29, 2014 (Invited talk).
  184. S. Coriani.
    "Molecules in Strong Fields: inputs from Quantum Chemistry?"
    1st COST XLIC Meeting, London, July 3-4, 2014 (Invited talk)
  185. S. Coriani.
    Old and New Spectroscopies in Strong Magnetic Fields: MCD, MCHD, NSCD.
    FemEx-Oslo: Promoting Female Excellence in Theoretical and Computational Chemistry II
    Soria Moria, Oslo, Norway, June 13-16, 2014 (Invited talk)
  186. S. Coriani.
    Old and New Spectroscopies in Strong Magnetic Fields: MCD, MCHD, NSCD.
    Winter Modelling 2014, Modena, Italy, March 13-14, 2014 (Contributed talk)
  187. M. Stener, G. Fronzoni, O. Baseggio, G. Cardenas, Y. Luo, W. Hua, M. De Simone, M. Coreno, B. Apicella, M. Alfe', Antti A. Kivimäki , A. Baiardi and V. Barone
    "Vibrationally resolved high-resolution NEXAFS and XPS spectra of polycyclic aromatic hydrocarbons and heterocyclic compounds"
    Talk, Winter Modeling 2014 Special Edition, Scuola Normale Superiore, December 1-2, 2014, Pisa, Italy.
  188. TOP


    Year 2015


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Last update: March 6th, 2015