Mark E. Casida

Time-dependent density-functional theory for molecules and molecular solids

Mark E. Casida · Journal of Molecular Structure THEOCHEM · 2009 · 711 citations

Natural Sciences, Chemistry, Physics +12

Nuclear Magnetic Resonance Shielding Tensors Calculated with a Sum-over-States Density Functional Perturbation Theory

Vladimir G. Malkin, Olga L. Malkina, Mark E. Casida et al. · Journal of the American Chemical Society · 1994 · 470 citations

Natural Sciences, Chemistry, Computational Chemistry +6

Excited-state potential energy curves from time-dependent density-functional theory: A cross section of formaldehyde's1A1 manifold

Mark E. Casida, Kim C. Casida, Dennis R. Salahub · International Journal of Quantum Chemistry · 1998 · 211 citations

Natural Sciences, Chemistry, Physics +17

Generalization of the optimized-effective-potential model to include electron correlation: A variational derivation of the Sham-Schlüter equation for the exact exchange-correlation potential

Mark E. Casida · Physical Review A · 1995 · 158 citations

Natural Sciences, Physics, Quantum Chemistry +12

Kohn–Sham orbitals and orbital energies: fictitious constructs but good approximations all the same

Sébastien Hamel, Patrick Duffy, Mark E. Casida et al. · Journal of Electron Spectroscopy and Related Phenomena · 2002 · 130 citations

Natural Sciences, Chemistry, Physics +14