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
5526 1998 Time-dependent density functional response theory for molecules ME Casida
Recent Advances In Density Functional Methods: (Part I), 155-192, 1995
1751 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
1144 1996 Progress in time-dependent density-functional theory ME Casida, M Huix-Rotllant
Annual review of physical chemistry 63 (1), 287-323, 2012
981 2012 Time-dependent density-functional theory for molecules and molecular solids ME Casida
Journal of Molecular Structure: THEOCHEM 914 (1-3), 3-18, 2009
833 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
405 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
377 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
317 2000 Excited‐state potential energy curves from time‐dependent density‐functional theory: A cross section of formaldehyde's 1 A 1 manifold ME Casida, KC Casida, DR Salahub
International journal of quantum chemistry 70 (4‐5), 933-941, 1998
278 1998 Comparison of density functionals for energy and structural differences between the high- 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
245 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
210 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
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
172 2007 
Dennis R. SalahubProfessor Emeritus of Chemistry, University of CalgaryEmail yang diverifikasi di ucalgary.ca