Mark Casida

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Dennis R. SalahubProfessor Emeritus of Chemistry, University of CalgaryAdresse e-mail validée de ucalgary.ca
Miquel Huix-RotllantCNRS - Aix-Marseille UniversitéAdresse e-mail validée de cnrs.fr
Alberto VelaDepartment of Chemistry, Cinvestav, MexicoAdresse e-mail validée de cinvestav.mx
Thierry DeutschHead of the MEM laboratory (CEA/UGA, Grenoble, France)Adresse e-mail validée de cea.fr
Ala Aldin M Hani Mahmood DarghouthUniversity of Mosul, College of ScienceAdresse e-mail validée de uomosul.edu.iq
kamel alimiFaculty of sciences of Monastir, Tu isiaAdresse e-mail validée de fsm.rnu.tn
Sebastien HamelLawrence Livermore National LaboratoryAdresse e-mail validée de llnl.gov
Frank NeeseMax Planck Institute für KohlenforschungAdresse e-mail validée de kofo.mpg.de
Loïc Joubert-DoriolUniversité Gustave EiffelAdresse e-mail validée de univ-eiffel.fr
Ursula RothlisbergerProfessor of Computational Chemistry and BiochemistryAdresse e-mail validée de epfl.ch
Thomas HeineProfessor of Theoretical ChemistryAdresse e-mail validée de tu-dresden.de
Patrizia CalaminiciChemistry Department, Cinvestav, MEXICOAdresse e-mail validée de cinvestav.mx
Elisa FaddaUniversity of SouthamptonAdresse e-mail validée de soton.ac.uk
Ivano TavernelliIBM Quantum, IBM Research - ZurichAdresse e-mail validée de zurich.ibm.com
Enrico TapaviczaProfessor of Chemistry, Universität Regensburg, California State University, Long BeachAdresse e-mail validée de csulb.edu
Henry F. Schaefer IIIProfessor of Chemistry, University of GeorgiaAdresse e-mail validée de uga.edu
Angel RubioDirector Max Planck for the Structure and Dynamics of Matter, Hamburg and Professor of Physics UHHAdresse e-mail validée de mpsd.mpg.de
Bernard R. BrooksNIH NHLBIAdresse e-mail validée de nih.gov
LYDIA NJENGAUNIVERSITY OF NAIROBIAdresse e-mail validée de uonbi.ac.ke
Pablo BaudinPost Doc, LCBC, EPFL, LausanneAdresse e-mail validée de epfl.ch

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Mark Casida

Département de Chimie Moléculaire (DCM), Université Grenoble Alpes (UGA)

Adresse e-mail validée de univ-grenoble-alpes.fr - Page d'accueil

Theoretical Chemistry


Titre Trier par citations Trier par année Trier par titre	Citée par Citée par	Année
Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: Characterization and correction of the time-dependent local … ME Casida, C Jamorski, KC Casida, DR Salahub The Journal of chemical physics 108 (11), 4439-4449, 1998	5641	1998
Recent advances in density functional methods ME Casida, DP Chong World Scientific 1, 155-192, 1995	1665	1995
Time-dependent density functional response theory for molecules ME Casida Recent Advances In Density Functional Methods: (Part I), 155-192, 1995	1601	1995
Dynamic polarizabilities and excitation spectra from a molecular implementation of time‐dependent density‐functional response theory: N₂ as a case study C Jamorski, ME Casida, DR Salahub The Journal of chemical physics 104 (13), 5134-5147, 1996	1142	1996
Progress in time-dependent density-functional theory ME Casida, M Huix-Rotllant Annual review of physical chemistry 63 (1), 287-323, 2012	979	2012
Time-dependent density-functional theory for molecules and molecular solids ME Casida Journal of Molecular Structure: THEOCHEM 914 (1-3), 3-18, 2009	755	2009
Nuclear magnetic resonance shielding tensors calculated with a sum-over-states density functional perturbation theory VG Malkin, OL Malkina, ME Casida, DR Salahub Journal of the American Chemical Society 116 (13), 5898-5908, 1994	614	1994
Time-dependent density functional response theory of molecular systems: theory, computational methods, and functionals ME Casida Theoretical and Computational Chemistry 4, 391-439, 1996	391	1996
Asymptotic correction approach to improving approximate exchange–correlation potentials: Time-dependent density-functional theory calculations of molecular excitation spectra ME Casida, DR Salahub The Journal of Chemical Physics 113 (20), 8918-8935, 2000	374	2000
Assessment of Kohn-Sham density-functional orbitals as approximate Dyson orbitals for the calculation of electron-momentum-spectroscopy scattering cross sections P Duffy, DP Chong, ME Casida, DR Salahub Physical Review A 50 (6), 4707, 1994	327	1994
Charge-transfer correction for improved time-dependent local density approximation excited-state potential energy curves: Analysis within the two-level model with illustration … ME Casida, F Gutierrez, J Guan, FX Gadea, D Salahub, JP Daudey The Journal of Chemical Physics 113 (17), 7062-7071, 2000	316	2000
Excited‐state potential energy curves from time‐dependent density‐functional theory: A cross section of formaldehyde's ¹A₁ manifold ME Casida, KC Casida, DR Salahub International journal of quantum chemistry 70 (4‐5), 933-941, 1998	279	1998
Comparison of density functionals for energy and structural differences between the high- and low- spin states of the hexaquoferrous … A Fouqueau, S Mer, ME Casida, LM Lawson Daku, A Hauser, T Mineva, ... The Journal of chemical physics 120 (20), 9473-9486, 2004	266	2004
Mixed time-dependent density-functional theory/classical trajectory surface hopping study of oxirane photochemistry E Tapavicza, I Tavernelli, U Rothlisberger, C Filippi, ME Casida The Journal of chemical physics 129 (12), 2008	251	2008
Generalization of the Kohn–Sham equations with constrained electron density formalism and its time‐dependent response theory formulation ME Casida, TA Wesołowski International journal of quantum chemistry 96 (6), 577-588, 2004	244	2004
Generalization of the optimized-effective-potential model to include electron correlation: A variational derivation of the Sham-Schlüter equation for the exact exchange … ME Casida Physical Review A 51 (3), 2005, 1995	217	1995
Assessment of Density Functionals for the High‐Spin/Low‐Spin Energy Difference in the Low‐Spin Iron(II) Tris(2,2′‐bipyridine) Complex LM Lawson Daku, A Vargas, A Hauser, A Fouqueau, ME Casida ChemPhysChem 6 (7), 1393-1410, 2005	205	2005
Comparison of local‐density and Hartree–Fock calculations of molecular polarizabilities and hyperpolarizabilities J Guan, P Duffy, JT Carter, DP Chong, KC Casida, ME Casida, M Wrinn The Journal of chemical physics 98 (6), 4753-4765, 1993	187	1993
Propagator corrections to adiabatic time-dependent density-functional theory linear response theory ME Casida The Journal of chemical physics 122 (5), 2005	173	2005
Troubleshooting time-dependent density-functional theory for photochemical applications: Oxirane F Cordova, LJ Doriol, A Ipatov, ME Casida, C Filippi, A Vela The Journal of chemical physics 127 (16), 2007	169	2007

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