Last updated: 2 February

Mark E. Casida: Talks

1996, 1997, 1998, 1999, 2000,

2001, 2002, 2003, 2004, 2005,

2006, 2007, 2008, 2009, 2010

As is common practice the underlined name is that of the person who actually presented the talk.

2010

• Invited Talk
  • Miquel Huix-Rotllant and Mark E. Casida
  • "Conical Intersections and Double Excitations Within Time-Dependent Density Functional Theory"
  • Miquel was invited to give a seminar by Prof. Lluis Blancafort, director of the Institut de Quimica Computacional, Universitat de Girona, 23 December 2010, Girona, SPAIN.
• Invited Talk
  • Mark E. Casida
  • "Multifaceted Problem of Double- and Higher-Excitations in Time-Dependent Density-Functional Theory"
  • Pacifichem, Honolulu, Hawaii, USA, 15-20 December 2010.
  • In the symposium entitled the "Theory of Excited State Structures and Dynamics: Application to Organic Materials and Biosystems", co-organized by Weitao YANG (USA), Zhigang SHUAI (China), and Minhaeng CHO (Korea)
• Invited Talk
  • Mark E. Casida
  • "Time-Dependent Density-Functional Theory"
  • Theories of Excited States in Molecules and Nanostructures, a by-invitation-only USA Department of Energy (DOE) Basic Energy Sciences Workshop, Baltimore, Maryland, USA, 13-14 June 2010.
• Contributed Talk
  • Bhaarathi Natarajan, Luigi Genovese, Mark E. Casida, and Thierry Deutsch
  • "Wavelet-Based Linear-Response Time-Dependent Density-Functional theory"
  • Ψ_k meeting, Berlin, Germany, 12-16 September 2010.
• Invited Talk
  • Miquel Huix-Rotllant and Mark E. Casida
  • "What Can We Learn from Dressed-Time-Dependent Density-Functional Theory for Two-Electron Excitations?"
  • CECAM Workshop entitled "Electronic Structure Challenges in Materials Modelling for Energy Applications", CECAM-HQ-EPFL, Lausanne, Switzerland, 1-4 June 2010.
• Invited Talk/Summer School
  • Mark E. Casida
  • "Static and Time-Dependent Density-Functional Theory"
  • Integrated Design of Catalytic Nanomaterials for a Sustainable Production (IDECAT) Summer School "Computational Methods for Material Science and Catalysis", 25-29 May 2010, École Normale Supérieur, Lyon, France.
• Contributed Talk/deMon Developers' Workshop
  • Mark E. Casida
  • "Time-Dependent Density-Functional Theory (TDDFT) in deMon@Grenoble"
  • 10th deMon Developers' Workshop, Universidade Federal de Minas Gerais, Belo Horizonte, MG, Brazil, 17-18 May 2010.
• Invited Talk
  • Mark E. Casida
  • "The multifaceted problem of double- and higher-excitations in TDDFT"
  • International Workshop on DFT --- Present and Future Challenges, Universidade Federal de Minas Gerais, Belo Horizonte, MG, Brazil, 14-15 May 2010.
• Invited Talk
  • Mark E. Casida
  • "Static and Time-Dependent Density-Functional Theory"
  • Applied Computational Intelligence Laboratory (ICA), Dept. of Electrical Engineering, Pontificia Universidade Catolica do Rio de Janeiro, Rio de Janeiro, Brazil, 11 May 2010
• Invited Talk
  • Mark E. Casida
  • "The multifaceted problem of double- and higher-excitations in TDDFT"
  • International workshop on "Frontiers in Electronic Structure Calculations: Techniques and Applications (clusters, nanostructures, novel carbon based materials etc.)", co-sponsered by the University of Uppsala (Sweden) and the University of Pune (India),
  • 15 - 17 February 2010, Pune, INDIA.
• Invited Talk
  • Mark E. Casida
  • "An overview of RPA from the Quantum Chemistry perspective"
  • Miquel Huix-Rotllant and Mark E. Casida
  • "Time-dependent density-functional theory kernels from many-body perturbation theory"
  • Multidisciplinary Workshop on RPA
  • 26-29 January 2010, Université Pierre et Marie Curie, Jussieu campus, Paris, FRANCE.
• Invited Talk
  • Mark E. Casida
  • "The multifaceted problem of double- and higher-excitations in TDDFT"
  • Time-Dependent Density Functional Theory: Prospects and Applications, 4^th International Workshop and School,
  • 10 - 14 January 2010 (Workshop), Benasque, SPAIN.

2009

• Contributed Talk
  • Mark E. Casida
  • "Spectroscopie théorique à l'interface nano entre les solides et les molécules"
  • Journée Scientifique du CECIC
  • 27 November 2009, Grenoble, France.
• Invited Talk
  • Mark E. Casida
  • "Theoretical spectroscopy at the nanointerface between solids and molecules: A beginner's guide to time-dependent density-functional theory"
  • Journées Théorie CTPG (Centre de Théorie en Physique de Grenoble)
  • 24-25 November 2009, Grenoble, France.
• Contributed Talk
  • Mark E. Casida
  • "Theoretical spectroscopy at the nanointerface between solids and molecules: A beginner's guide to time-dependent density-functional theory"
  • Workshop on Nanosciences and Nanotechnology: From Smart Materials to Devices, A meeting between the Université Joseph Fourier of Grenoble and the University of Texas at Austin
  • 11-13 October 2009, Autrans, France.
• Invited Plenary Talk
  • Mark E. Casida
  • "Pushing the Limits of Conventional Time-Dependent Density-Functional Theory for Photochemical Modeling"
  • Quitel 2009: XXXV Congreso de Químicos Teóricos de Expresión Latina (XXXV Congress of Theoretical Chemists of Latin Expression)
  • 18-22 September 2009, San Andrés Island, Colombia.
• Invited Plenary Talk
  • Mark E. Casida
  • "Pushing the Limits of Conventional Time-Dependent Density-Functional Theory for Photochemical Modeling"
  • 3th International Conference on the Applications of Density Functional Theory in Chemistry and Physics, DFT09
  • 31 August - 4 September 2009, Lyon, France.
• Contributed Talk/deMon Developers' Workshop
  • Mark E. Casida
  • "Mixed TDDFT/Classical Surface Hopping Method"
  • Workshop on Density Functional Theory, Present and Future Challenges and the deMon Developers' 9th Annual Workshop, organized by Suraud Pal
  • 16-19 February 2009, Pune, India.

2008

• Invited Talk
  • Mark E. Casida
  • "TDDFT pushing the limits of and going beyond the adiabatic approximation : 'Real' TDDFT meets 'real' photochemistry"
  • Time-Dependent Density Functional Theory: Prospects and Applications
  • 31 August - 15 September 2008, Benasque, SPAIN.
• Contributed Talks
  • Mark E. Casida
  • "Étude de la Photochimie d'Oxirane par Photodynamique TDDFT", Xième Rencontre des Chimistes Théoriciens Francophones, 30 June - 4 July 2008, Dinard, France.
• Contributed Talk
  • Mark E. Casida
  • "Conical Intersections in TDDFT", Workshop on Range-Separated Hybrids (RSH), organized by Andreas Savin and Julien Toulouse, 9-13 May 2008, Université Pierre et Marie Curie (Paris VI), Jussieu Campus, Paris, France.

2007

• Invited Talk
  • Mark E. Casida
  • "Troubleshooting Time-Dependent Density-Functional Theory (TDDFT) for Photochemical Modeling: Oxirane",
  • The Minerva Gentner Symposium on: Time-Dependent Density Functional Theory, 16-21 December 2007, Eilat, Israel.
• Invited Talk
  • Mark E. Casida
  • "Troubleshooting Time-Dependent Density-Functional Theory (TDDFT) for Photochemical Modeling: Oxirane",
  • part of the Laboratory of Computational Chemistry and Biochemistry Seminar Series, Institute of Chemical Sciences and Engineering, Swiss Federal Institute of Technology (EPF) Lausanne, Switzerland, 22 October 2007.
• Contributed Talk
  • Mark E. Casida
  • "Un peu sur la théorie de la fonctionnelle de la densité dépendante du temps (TDDFT) et sur mes projets"
  • réunion du Groupe NANOSPIN, Institut Néel, Grenoble, 20 septembre 2007.
• Contributed Talk/deMon Developers' Workshop
  • Andrei Ipatov, Felipe Cordova, and Mark E. Casida
  • "Excited-State Spin-Contamination in Time-Dependent Density-Functional Theory for Molecules with Open-Shell Ground States"
  • 8thdeMon Developers' Workshop, co-organized by Mark E. Casida and by Annick Goursot
  • Paris, France, 31 August-3 September 2007.
• Invited Talk
  • Mark E. Casida
  • "Troubleshooting Time-Dependent Density-Functional Theory (TDDFT) for Photochemical Modeling: Oxirane"
  • Actually I was invited as Discussion Leader in a session entitled, Photochemistry and Excited-State Dynamics. It is a special honor to be invited to be Discussion Leader in a Gordon Research Conference (GRC). Discussion Leaders play a very important role in GRCs, which requires substantial preparation. However I was asked to give a replacement talk when one of the speakers in my session had to cancel at the last minute.
  • 15-20 July 2007, Gordon Research Conference on Time-Dependent Density Functional Theory, Colby College, Waterville, Maine, USA. Chairs: Carsten A. Ullrich and Kieron Burke. Vice chair: Angel Rubio.
• Invited Talk
  • Mark E. Casida
  • "Troubleshooting Time-Dependent Density-Functional Theory (TDDFT) for Photochemical Modeling: Oxirane"
  • 13 July 2007, National Institute of Standards and Technology (NIST), Gaithersburg, Maryland, USA.
• Invited Talk
  • Mark E. Casida
  • "Troubleshooting Time-Dependent Density-Functional Theory (TDDFT) for Photochemical Modeling: Oxirane"
  • 23-25 May 2007, CECAM workshop on "Ab initio simulations in photochemistry: bringing together nonadiabatic dynamics and electronic structure theory", organized by Nikos Doltsinis and Sara Bonella, Centre Européen de Calcul Atomique et Moléculaire (CECAM), Lyon, FRANCE.
• Invited Talk
  • Mark E. Casida
  • "Troubleshooting Time-Dependent Density-Functional Theory (TDDFT) for Photochemical Modeling: Oxirane"
  • 13-17 May 2007, 5th International Symposium on Theory of Atomic and Molecular Clusters (TAMC V), Richmond, Virginia, USA.
• Invited Talk
  • Mark E. Casida
  • "La DFT dépendante du temps :Peut-elle aider dans la modélisation des réactions photochimiques?"
  • 27 April 2007, Séminaire de Physique Théorique, Maison des Magistères, CNRS-Grenoble, FRANCE.
• Contributed Talk
  • Andrei Ipatov, Mark E. Casida, and Felipe Cordova
  • "Contamination de spin pour états excités calculés par TDDFT pour molécules à couche ouverte"
  • Réunion générale du GdR-DFT++, 27-30 March 2007, L'Escandille, Autrans, FRANCE.
• Invited Talk/Short Course
  • Mark E. Casida
  • A 3 seminar short course on TDDFT entitled: "Time-Dependent Density-Functional Theory for Molecular Excitations"
  • "I. Foundations"
  • "II. Conventional TDDFT"
  • "III. Many-Electron Excitations"
  • 22 February 2007, Universidad Autonoma Metropolitana-Iztalapa, Mexico City, MEXICO.
• Invited Talk/Short Course
  • Mark E. Casida
  • A 3 seminar short course on TDDFT entitled: "Time-Dependent Density-Functional Theory for Molecular Excitations"
  • 10 January 2007 "I. Foundations"
  • 11 January 2007 "II. Conventional TDDFT"
  • 12 January 2007 "III. Many-Electron Excitations"
  • Institute of High Performance Computing, Singapore.

2006

• Invited Talk
  • Andrei Ipatov, Felipe Cordova, and Mark E. Casida
  • "Spin-coupling and other explicit many-body effects in time-dependent density-functitonal theory"
  • Cross talks in the physics of many body systems
  • 6-8 December 2006, Institut Henri Poincaré, Paris, FRANCE.
• Invited Talk
  • Mark E. Casida
  • "Propagator corrections to linear-response time-dependent density-functional theory (TDDFT)"
  • 11th Nanoquanta Workshop on Electronic Excitations
  • 19-22 September 2006, Houffalize, BELGIUM.
• Invited Talk
  • Mark E. Casida
  • "Two (and higher) electron excitations in TDDFT"
  • Time-Dependent Density Functional Theory: Prospects and Applications: 2nd International School and Workshop
  • 27 August - 11 September 2006, Benasque, SPAIN.
• Invited Talk
  • Mark E. Casida
  • "Theoretical Study of Spin-Crossover Compounds: Importance of the Choice of Functional for an Optimal Treatment of Different Spin States in Fe(II) Complexes"
  • Models and Theory for Molecular Magnetism
  • 18-21 July 2006, Centre Européen de Calcul Atomique et Moléculaire (CECAM), Lyon, FRANCE
• Invited Talk
  • Felipe Cordova, Loïc Joubert Doriol, Andrei Ipatov, and Mark E. Casida
  • "Modern Photochemical Modeling: The Example of Oxirane Ring Opening"
  • Universidad de Las Americas, Puebla (UDLAP), Departamento de Ciencias Química-Biológicas
  • 8 May 2006, Puebla, Puebla, Mexico
• Invited Talk
  • A. Fouqueau, S. Mer, N. Berkaïne, G. Ganzenmüller, Mark E. Casida L.M. Lawson Daku, A. Vargas, A. Hauser, F. Neese, M. Reiher, and T. Mineva
  • "Theoretical Study of Spin-Crossover Compounds: Importance of the Choice of Functional for an Optimal Treatment of Different Spin States in Fe(II) Complexes"
  • Guest of Tom Ziegler, Chemistry Department, University of Calgary
  • 26 April 2006, Calgary, Alberta, Canada
• Contributed Talk/deMon Developers' Workshop
  • Mark E. Casida
  • "Progress on Time-Dependent Density-Functional Theory (TDDFT) in deMon2k"
  • 7thdeMon Developers' Workshop
  • Kananaskis Field Station, Kananaskis Country, Alberta, Canada, 21-25 April 2006.
• Invited Talk/Summer School
  • Mark E. Casida
  • "DFT Dépendante du Temps"
  • Formation Permanente du CNRS, VIII^e Journées Thématiques de Chimie Théorique: A Propos de la DFT, Centre Régional de Compétences en Modélisation Moléculaire,
  • 6-7 avril 2006, Faculté des Sciences et Techniques de Saint-Jérôme, Marseille, FRANCE
• Invited Talk
  • Mark E. Casida and Andrei Ipatov
  • "Excited-state spin-contamination in time-dependent density-functional theory for molecules with open-shell ground states"
  • Frontier Applications and Developments of Density Functional Theory: A Symposium in Honor of Robert G. Parr's 85th Birthday
  • 231st ACS National Meeting
  • 26-30 March 2006, Atlanta, GA, USA.
• Invited Talk
  • Mark E. Casida and Andrei Ipatov
  • "Excited-state spin-contamination in time-dependent density-functional theory for molecules with open-shell ground states"
  • 46th Sanibel Symposium
  • 26 February-3 March 2006, St. Simons Island, GA, USA.
• Invited Talk
  • A. Fouqueau, S. Mer, N. Berkaïne, G. Ganzenmüller, Mark E. Casida L.M. Lawson Daku, A. Vargas, A. Hauser, F. Neese, M. Reiher, and T. Mineva
  • "Theoretical Study of Spin-Crossover Compounds: Importance of the Choice of Functional for an Optimal Treatment of Different Spin States in Fe(II) Complexes"
  • Invited speaker in a colloquium on LIESST in a FDG-funded Sfb (=Sonderforschungsbereich = Cooperative Research Center) on molecular switches.
  • 26 January 2006, Berlin, Germany
• Contributed Talk
  • Andrei Ipatov and Mark E. Casida
  • "Excitation Spectra of Open-Shell Systems: Recent Progress with the Time-Dependent Density-Functional Theory Approach"
  • Meeting of the COST (European CO-operation in the field of Scientific and Technical Research) Chemistry Working Group for COST Action D26, "Development of Density-Functional Theory Models for an Accurate Description of Electronic Properties Possessing Potential High Non-Linear Optical Properties"
  • 13-15 January 2006, École Nationale Supérieure de Chimie de Paris, Paris, France
  • web site

2005

• Contributed Talk
  • A. Fouqueau, S. Mer, N. Berkaïne, G. Ganzenmüller, Mark E. Casida, L.M. Lawson Daku, A. Vargas, A. Hauser, F. Neese, M. Reiher, and T. Mineva
  • "Theoretical Study of Spin-Crossover Compounds: Importance of the Choice of Functional for an Optimal Treatment of Different Spin States in Fe(II) Complexes''
• Invited Talk/Summer School
  • Mark E. Casida
  • "Traitement des états excités : La théorie de la fonctionnelle de la densité dépendante du temps"
  • École d'été : Fonctionnelle de la densité, ESNSICAEN, Caen, France, 27 - 29 juin 2005
• Contributed Talk
  • Mark E. Casida
  • "Corrections de Type Propagateur de Polarisation pour la Théorie de Réponse Linéaire de la Théorie de la Fonctionnelle de la Densité Dépendante du Temps dans l'Approximation Adiabatique"
  • GdR-DFT Working Session, group of Lucia Reining, École Polytechnique
  • 30 May 2005, Palaiseau (Paris), France
• Contributed Talk
  • Henry Chermette, Carlo Adamo, and Mark E. Casida
  • "Working Group 13. Development of Density Functional Theory models for an accurate description of electronic properties of materials possessing potential high nonlinear optical properties"
  • COST Chemistry D26, Computational Chemistry, Mid-term Evaluation Conference, Fisher's Hotel, Pitlochry, Scotland, 5-8 May 2005
• Invited Talk/Summer School
  • Mark E. Casida
  • "La Théorie de la Fonctionnelle de la Densité Dépendante du Temps"
  • Modélisation, Dynamique et Thermodynamique Des Complexes Isolés, École thématique du CNRS, École du GdR "Agrégation, Fragmentation et Thermodynamique des Systèmes Complexes Isolés"
  • 22-27 May 2005, Porquerolles, France.
• Contributed Talk
  • Antony Fouqueau, Sébastien Mer, Georg Ganzenmüller, Mark E. Casida, Latévi Max Lawson Daku, Alfredo Vargas, and Andreas Hauser
  • "Importance du choix de la fonctionnelle pour le traitement des différents états de spin dans les complexes de Fer(II)"
  • GdR DFT 2005 : Fonctionnelle de la densité : de la molécule aux matériaux et systèmes complexes"
  • 18-20 May 2005, Cap d'Agde (Hérault), France
• Contributed Talk/deMon Developers' Workshop
  • Mark E. Casida
  • "Excitation Energies from TDDFT Using Auxiliary Functions with Charge Conservation Constraint in deMon2K
  • 6th deMon Developers' Workshop
  • Dresden, Germany, 30 March - 3 April 2005

2004

• Invited Talk/Summer School
  • Mark E. Casida
  • "La Théorie de la Fonctionnelle de la Densité Dépendante du Temps (TDDFT)
    1. 1. De la Chimie Quantique Non Orthodox à la Chimie Quantique Orthodox
    2. 2. De la Chimie Quantique Orthodox à la Chimie Quantique Non Orthodox"
  • GdR DFT, DFT Lyon 2004, École du GdR DFT
  • 4-8 October 2004, Lyon, France.
• Contributed Talk
  • Mark E. Casida
  • "Propagator corrections to time-dependent density-functional theory (TDDFT) for the purpose of explicitly incorporating higher-order excitations into TDDFT"
  • Ninth European Workshop on Quantum Systems in Chemistry and Physics (QSCP-IX) (co-organized by M.E. Casida, J.P. Julien, J. Maruani, and D. Mayou)
  • 25-30 September 2004, Les Houches, France.
• Invited Talk
  • Mark E. Casida
  • "Towards the Incorporation of Higher-Order Excitations into Time-Dependent Density-Functional Theory (TDDFT) : Propagator Corrections to TDDFT"
  • 15th Canadian Symposium on Theoretical Chemistry
  • 10-14 July 2004, Sainte-Adèle, Québec, Canada
• Invited Talk/Summer School
  • Mark E. Casida
  • Two lectures :
    1. I. From Unorthodox to Orthodox Quantum Chemistry
    2. II. From Orthodox to Unorthodox Quantum Chemistry
  • TDDFT 2004, ACS PRF Summer School: Time-Dependent Density-Functional Theory and the Dynamics of Complex Systems
  • 5-10 June 2004, Santa Fe, New Mexico, USA.
• Contributed Talk/deMon Developers' Workshop
  • Mark E. Casida
  • "Fruits of a Franco-Mexican Collaboration"
  • 5th deMon Developers' Workshop
  • Tropea, Italy, 1-5 May 2004
• Invited Talk
  • Mark E. Casida
  • "What Can Spin-Crossover in Fe(II) Compounds Tell Us About DFT?"
  • 2004 Spring Meeting of the Swiss Association of Computational Chemistry (SACC/ASCC)
  • 11 March 2004, Bern, Switzerland.
• Contributed Talk
  • Mark E. Casida
  • "Vers l'augmentation de l'ordre d'excitation traitable par la TDDFT"
  • GDR - DFT - 2004, Rénion du Groupe de Recherche-La Théorie de Fonctionnelle de la Densité (GdR-DFT)
  • 4-6 February 2004, Centre Agelonde, La Londe Les Maures (Var), France.
• Invited Talk
  • Mark E. Casida
  • "Towards the Incorporation of Higher-Order Excitations into Time-Dependent Density-Functional Theory"
  • Theory Department, Fritz-Haber Institute, Max-Planck-Gesellschaft
  • 15 January 2004, Berlin, Germany
• Contributed Talk
  • Mark E. Casida
  • "Many-Electron Excitations in TDDFT: (i) The Case Against the Adiabatic Approximation (ii) Strategies for Explicit Incorporation of Many-Electron Excitations"
  • Meeting of the COST (European CO-operation in the field of Scientific and Technical Research) Chemistry Working Group for COST Action D26, "Development of Density-Functional Theory Models for an Accurate Description of Electronic Properties Possessing Potential High Non-Linear Optical Properties"
  • 9-11 January 2004, École Nationale Supérieure de Chimie de Paris, Paris, France

2003

• Contributed Talk
  • Mark E. Casida
  • "Le Problème de l'Incorporation Explicite des Excitations Polyélectroniques dans la TDDFT"
  • Chemists' Workshop, Groupe de Recherche-La Théorie de Fonctionnelle de la Densité (GdR-DFT)
  • 7 December 2003, Université Pierre et Marie Curie, Paris, France
• Invited Talk
  • Mark E. Casida
  • "What Can Spin-Crossover in Fe(II) Compounds Tell Us About DFT?"
  • Theoretical Chemistry, Department of Chemistry and Pharmaceutical Sciences, Vrije Universiteit, at the invitation of Evert Jan Baerends
  • 7 November 2003, Amsterdam, The Netherlands
• Contributed Talk
  • Mark E. Casida
  • "Towards the incorportation of higher-order excitations into time-dependent density-functional theory"
  • 10th International Conference on the Applications of Density Functional Theory in Chemistry and Physics,
  • 7-12 September 2003 at the Vrije Universiteit Brussel (VUB), Brussels, Belgium.
• Invited Talk
  • Mark E. Casida`
  • "Introduction to Time-Dependent Density-Functional Theory"
  • Theory Group, CINVESTAV
  • 4 June 2003, Mexico City, Mexico
• Invited Talk
  • Mark E. Casida
  • "DFT versus CASPT2: Different but Sometimes Complementary"
  • Department of Theoretical Chemistry, Lunds Universitet, at the invitation of Björn Roos
  • 28 April 2003, Lund, Sweden
• Contributed Talk/deMon Developers' Workshop
  • Mark E. Casida
  • Users' Day: "Introduction to Time-Dependent Density-Functional Theory (TDDFT)"
  • web presentation
  • Developers' Session: "deMon Development in Grenoble"
  • 4th deMon Developers' Workshop : Workshop on Density Functional Theory, Present and Future Challenges and the deMon Developers' 4th Annual Workshop
  • Stockholms Universitet (Stockholm, Sweden), 22-26 April 2003
• Invited Talk
  • Mark E. Casida
  • 225th ACS National Meeting,
  • "Time-dependent density-functional theory as a foundation for a firmer understanding of sum-over-states density-functional perturbation theory"
  • abstract
  • 23-27 March, 2003, New Orleans, Louisiana, USA.
  • Symposium: Recent Developments and Applications of Time-Dependent DFT and Related Ab Initio and Semiempirical Methods, co-organized by Kieron Burke and John McKelvey
• Elisa Fadda, Mark E. Casida, and Dennis R. Salahub
  • "Assessments of the Strengths and Limitations of SOS-DFPT Throughout the Entire Range of ^14,15N NMR Spectrum"
  • 3rd Annual CERMM Symposium, Concordia University
  • 10-11 January 2003, Montréal, Canada

2002

• Invited Talk
  • Mark E. Casida
  • "Time-Dependent Density-Functional Theory for Electronic Excited States (and Related Properties)"
  • EUCO-CC4: 4th European Conference on Computational Chemistry
  • 1 - 6 September 2002, Assisi, Italy, organized by the Working Party on Computational Chemistry of the Federation of European Chemical Societies (FECS)
• Invited Talk
  • Mark E. Casida
  • "Generalization of the Kohn-Sham Equations with Constrained Electron Density (KSCED) Formalism and its Time-Dependent Response Theory Formulation"
  • CECAM Workshop on Approximating and Applying of the Kinetic Energy Functional
  • 31 July-2 August 2002, organized by T.A. Wesolowski and H. Chermette
• Invited Talk
  • Mark E. Casida
  • "Some Challenges for the Calculation of Excited-State Potential Energy Surfaces from Time-Dependent Density-Functional Theory"
  • CECAM workshop Exchange-correlation energy functionals: assessment and prospects
  • 10-14 June 2002, organized by G.E. Scuseria, A. Savin, and D.J. Tozer
• Invited Talk
  • Mark E. Casida
  • "Introduction to Time-Dependent Density-Functional Theory"
  • Pacific Northwest National Laboratory
  • 6 June 2002, Richland, WA, USA.
• Invited Talk
  • Mark E. Casida
  • invited speaker in two sessions
  • Computational Chemistry (organized by D.P. Chong and Y.A. Wang): "Some Challenges for the Calculation of Excited-State Potential Energy Surfaces from Time-Dependent Density-Functional Theory", S. Hamel, M.E. Casida, P. Duffy, and D.R. Salahub, Monday 3 June 2002.
  • Electron and VUV Photon Impact Methods: Symposium in Honour of C.E. Brion (organized by T. Leung, A. Hitchcock, and Y. Zheng): "Kohn-Sham Orbitals: Approximate? Yes, but What a Good Approximation!", Tuesday 4 June 2002.
  • 85th CSC Conference and Exhibition,
  • 1-5 June 2002, Vancouver, B.C., Canada.
• Contributed Talk/deMon Developers' Workshop
  • Mark E. Casida
  • "Molecular Orbital Energies in Kohn-Sham Density-Functional Theory: The Exchange-Only Optimized Effective Potential Obtained for Molecules via Resolution-of-the identity Auxiliary Function Techniques"
  • 2nd deMon Developers' Workshop,
  • CINVESTAV (Mexico City, Mexico), 12-16 March 2001
• Invited Talk
  • Mark E. Casida
  • "Aspects des calculs de chimie quantique à haute performance"
  • web presentation
  • Séminaire CIMENT
  • 20 March 2002, Grenoble, France
• Contributed Talk
  • Mark E. Casida
  • "Théorie de la fonctionnelle de la densité dépendante du temps: Rappel et défis"
  • Réunion GdR-DFT
  • 15 March 2002, Université Pierre et Marie Curie (Paris VI)
• Invited Talk
  • Mark E. Casida
  • "Introduction à la théorie de la fonctionnelle de la densité dépendante du temps"
  • web presentation
  • Invited Seminar, hosted by the Laboratoires de Physique Théorique et de Chimie Quantique, Université Louis Pasteur
  • 8 March 2002, Strasbourg, France
• Invited Talk
  • Mark E. Casida
  • "La théorie de la fonctionnelle de la densité dépendante du temps: Formulation moléculaire et applications"
  • Séminaire SP2M
  • 28 January 2002, CEA, Grenoble, France

2001

• Invited Talk
  • Mark E. Casida
  • "Towards a Unified DFT Description of Electronic Excitation, Ionization, and Nuclear Magnetic Resonance"
  • 9th International Conference on the Applications of the Density Functional Theory in Chemistry and Physics,
  • 10-14 September, 2001, San Lorenzo de El Escorial, Madrid, Spain.
• Invited Talk
  • Mark E. Casida
  • "Molecular Orbital Energies in Kohn-Sham Density-Functional Theory: The Exchange-Only Optimized Effective Potential Obtained for Molecules Via Resolution-of-the-Identity Auxiliary Function Techniques"
  • 84th CSC Conference and Exhibition,
  • 26-30 May 2001, Montréal, Québec, Canada.
• Contributed Talk/deMon Developers' Workshop
  • Mark E. Casida
  • "deMon-DynaRho : A Program for Calculating Electronic Excitation Spectra from Time-Dependent Density-Functional Theory"
  • 1st deMon Developers' Workshop,
  • Steacie Institute (Ottawa, Ontario, Canada), 14-19 March 2000
• Invited Talk
  • Mark E. Casida
  • "Jacob's ladder for time-dependent density-functional theory: Some rungs on the way to photochemical heaven"
  • 221st National ACS Meeting,
  • 1-5 April, 2001, San Diego, California, USA.
  • Symposium: Accurate Description of Low-Lying Molecular States and Potential Energy Surfaces,

2000

• Invited Talk
  • Mark E. Casida
  • "Time-Dependent Density-Functional Theory for Calculating Molecular Electronic Spectra"
  • Physical/Theoretical Chemistry Seminar, Queen's University.
  • 14 November 2000, Kingston, Ontario, Canada.
• Invited Talk
  • Mark E. Casida
  • "Approximate Functionals in Time-Dependent Density-Functional Theory Calculations of Molecular Excitation Spectra: Artifacts and Possible Corrections"
  • DFT 2000 Satellite Symposium of the 10th International Congress of Quantum Chemistry,
  • 11-14 June 2000, Menton, France
• Invited Talk
  • Mark E. Casida
  • "Approximate Functionals in Time-Dependent Density-Functional Theory Calculations of Molecular Excitation Spectra: Artifacts and Possible Corrections"
  • CSC 2000, "Challenges for the New Century", Canadian Society for Chemistry National Meeting & Exhibition,
  • 27-31 May 2000, Calgary, Alberta, Canada
• Contributed Talk
  • En tant que corésponsable (avec le professeur Tucker Carrington) du colloque La Chimie Théorique de l'an 2000: Perspectives de Développements et d'Applications du 68ème Congrès de l'Association Canadienne Française pour l'Avancement de la Science qui a eu lieu à l'Université de Montréal du 15 au 19 mai 2000, j'ai donné la conférence entitulé:
  • "La DFT dépendante du temps pour le calcul des spectres d'excitation éléctronique des molécules"

1999

• Invited Talk
  • Mark E. Casida
  • "Molecular Electronic Excitation Spectra from Time-Dependent Density-Functional Theory"
  • ESMS99 Excited States in Molecules and Solids: Interplay between Experiment and Theory ,
  • 21-24 October 1999, Tarragona, Spain
• Invited Talk
  • Mark E. Casida
  • "Reconciling of the DeltaSCF and TDDFT Approaches to Excitation Energies in DFT: A Charge-Transfer Correction for TDDFT with GGA Functionals"
  • Joint ITP/INT Workshop on Time-Dependent Density Functional Theory,
  • 15-17 April 1999, Institute for Theoretical Physics, University of California at Santa Barbara
  • On-line Workshop Proceedings: http://www.itp.ucsb.edu/online/tddft_c99/

1998

• Invited Talk
  • Mark E. Casida
  • "Définition et extension des frontières de la DFT dépendante du temps dans le contexte des applications moléculaires"
  • 6ème Réunion des Chimistes Théoriciens Français,
  • 13 au 16 Octobre 1998, Université des Sciences et Technologies de Lille, Villeneuve d'Ascq, France
• Invited Talk
  • Mark E. Casida
  • "Molecular Electronic Excitation Spectra from Time-Dependent Density-Functional Theory: Defining and Extending the Frontiers of TD-DFT"
  • 13th Canadian Symposium on Theoretical Chemistry,
  • 2-7 August, 1998, The University of British Columbia, Vancouver, Canada
• Invited Talk
  • Mark E. Casida
  • "Aspects of Time-Dependent Density-Functional Response Theory for Treating Molecular Excitation Energies''
  • 38th Sanibel Symposium on Atomic, Molecular, and Condensed Matter Theory,
  • 21-27 February 1998, Ponce de Leon Resort, St. Augustine, Florida, U.S.A.

1997

• Invited Talk
  • Mark E. Casida
  • "Time-Dependent Density-Functional Response Theory for Molecules: Focus on Functionals''
  • 213th American Chemical Society National Meeting,
  • 13-17 April 1997, San Francisco, California, U.S.A.

1996

• Invited Talk
  • Mark E. Casida
  • "Molecular Response Properties and Electronic Excitation Spectra from Time-Dependent Density-Functional Theory''
  • 79th Conference and Exhibition of the Canadian Society for Chemistry,
  • 23-26 June 1996, Memorial University of Newfoundland, St. John's, Newfoundland, Canada.

Remonter un niveau /Up one level.