26 citations · 54 across the 5 of their papers we have counts for
3 papers · 1 filter
Perturbation Theory Treatment of Spin-Orbit Coupling. III: Coupled Perturbed Method for Solids
Jacques K. Desmarais, Alberto Boccuni, Jean-Pierre Flament +2
A previously proposed non-canonical coupled-perturbed Kohn-Sham density functional theory (KS-DFT)/Hartree-Fock (HF) treatment for spin-orbit coupling is here generalized to infini…
First-Principles Calculation of the Optical Rotatory Power of Periodic Systems: Modern Theory with Modern Functionals
Jacques K. Desmarais, Bernard Kirtman, Michel Rérat
An analysis of orbital magnetization in band insulators is provided. It is shown that a previously proposed electronic orbital angular-momentum operator generalizes the ``modern th…
How much can donor/acceptor-substitution change the responses of long push-pull systems to DC fields?
Michael Springborg, Bernard Kirtman
Mathematical arguments are presented that give a unique answer to the question in the title. Subsequently, the mathematical analysis is extended using results of detailed model cal…