Andreas C. Cangellaris, Karen M. Coperich, et al.
EMC 2001
It is shown that the variation of the total energy, as constructed in density-functional theory, with respect to an orbital occupation is equal to the eigenvalue of that orbital, independent of the detailed form of the exchange-correlation functional. This leads to a rigorous connection between the ground-state energies of N- and (N+1)-particle systems, which is useful in the calculation of certain excitation energies. © 1978 The American Physical Society.
Andreas C. Cangellaris, Karen M. Coperich, et al.
EMC 2001
S.F. Fan, W.B. Yun, et al.
Proceedings of SPIE 1989
Zelek S. Herman, Robert F. Kirchner, et al.
Inorganic Chemistry
Mark W. Dowley
Solid State Communications