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cond-mat.mtrl-sci2007
Orbital currents in the Colle-Salvetti correlation energy functional and the degeneracy problem
S. Pittalis, S. Kurth, S. Sharma +1
Popular density functionals for the exchange-correlation energy typically fail to reproduce the degeneracy of different ground states of open-shell atoms. As a remedy, functionals…
cond-mat.mtrl-sci2007★ 32 cited
Comparison of exact-exchange calculations for solids in current-spin-density- and spin-density-functional theory
S. Sharma, S. Pittalis, S. Kurth +3
The relative merits of current-spin-density- and spin-density-functional theory are investigated for solids treated within the exact-exchange-only approximation. Spin-orbit splitti…