| 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 | 5463 | 1998 |
| Time-dependent density functional response theory for molecules ME Casida Recent Advances In Density Functional Methods: (Part I), 155-192, 1995 | 1831 | 1995 |
| Recent advances in density functional methods ME Casida, DP Chong World Scientific 1, 155-192, 1995 | 1366 | 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 | 1120 | 1996 |
| Progress in time-dependent density-functional theory ME Casida, M Huix-Rotllant Annual review of physical chemistry 63, 287-323, 2012 | 899 | 2012 |
| Time-dependent density-functional theory for molecules and molecular solids ME Casida Journal of Molecular Structure: THEOCHEM 914 (1-3), 3-18, 2009 | 761 | 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 | 612 | 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 | 389 | 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 | 365 | 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 | 322 | 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 | 311 | 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 | 274 | 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 | 257 | 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 | 241 | 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 | 241 | 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 | 215 | 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 | 201 | 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 | 184 | 1993 |
| Propagator corrections to adiabatic time-dependent density-functional theory linear response theory ME Casida The Journal of chemical physics 122 (5), 2005 | 169 | 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 | 159 | 2007 |
Dennis R. SalahubProfessor Emeritus of Chemistry, University of CalgaryVerified email at ucalgary.ca
