Mark Casida

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Dennis R. SalahubProfessor Emeritus of Chemistry, University of CalgaryPreverjeni e-poštni naslov na ucalgary.ca
Miquel Huix-RotllantCNRS - Aix-Marseille UniversitéPreverjeni e-poštni naslov na cnrs.fr
Alberto VelaDepartment of Chemistry, Cinvestav, MexicoPreverjeni e-poštni naslov na cinvestav.mx
Thierry DeutschHead of the MEM laboratory (CEA/UGA, Grenoble, France)Preverjeni e-poštni naslov na cea.fr
Ala Aldin M Hani Mahmood DarghouthUniversity of Mosul, College of SciencePreverjeni e-poštni naslov na uomosul.edu.iq
kamel alimiFaculty of sciences of Monastir, Tu isiaPreverjeni e-poštni naslov na fsm.rnu.tn
Sebastien HamelLawrence Livermore National LaboratoryPreverjeni e-poštni naslov na llnl.gov
Ursula RothlisbergerProfessor of Computational Chemistry and BiochemistryPreverjeni e-poštni naslov na epfl.ch
Frank NeeseMax Planck Institute für KohlenforschungPreverjeni e-poštni naslov na kofo.mpg.de
Loïc Joubert-DoriolUniversité Gustave EiffelPreverjeni e-poštni naslov na univ-eiffel.fr
Ivano TavernelliIBM Quantum, IBM Research - ZurichPreverjeni e-poštni naslov na zurich.ibm.com
Enrico TapaviczaProfessor of Chemistry, Universität Regensburg, California State University, Long BeachPreverjeni e-poštni naslov na csulb.edu
Elisa FaddaUniversity of SouthamptonPreverjeni e-poštni naslov na soton.ac.uk
Thomas HeineProfessor of Theoretical ChemistryPreverjeni e-poštni naslov na tu-dresden.de
Patrizia CalaminiciChemistry Department, Cinvestav, MEXICOPreverjeni e-poštni naslov na cinvestav.mx
Henry F. Schaefer IIIProfessor of Chemistry, University of GeorgiaPreverjeni e-poštni naslov na uga.edu
Angel RubioDirector Max Planck for the Structure and Dynamics of Matter, Hamburg and Professor of Physics UHHPreverjeni e-poštni naslov na mpsd.mpg.de
Bernard R. BrooksNIH NHLBIPreverjeni e-poštni naslov na nih.gov
LYDIA NJENGAUNIVERSITY OF NAIROBIPreverjeni e-poštni naslov na uonbi.ac.ke
Pablo BaudinPost Doc, LCBC, EPFL, LausannePreverjeni e-poštni naslov na epfl.ch

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Mark Casida

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

Preverjeni e-poštni naslov na univ-grenoble-alpes.fr - Domača stran

Theoretical Chemistry


Naslov Razvrsti po navedbah Razvrsti po letniku Razvrsti po naslovu	Navedeno Navedeno	Leto
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	5517	1998
Time-dependent density functional response theory for molecules ME Casida Recent Advances In Density Functional Methods: (Part I), 155-192, 1995	1744	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	978	2012
Time-dependent density-functional theory for molecules and molecular solids ME Casida Journal of Molecular Structure: THEOCHEM 914 (1-3), 3-18, 2009	831	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	603	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	403	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	376	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	331	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	277	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	265	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	252	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
CAS: 528: DyaK1cXhsV2js7w% 3D: Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: characterization and correction … ME Casida, C Jamorski, KC Casida, DR Salahub J Chem Phys, 4439-4449, 1998	235	1998
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	209	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	204	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	172	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	171	2007

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