Robert W. Keyes
Physical Review B
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.
Robert W. Keyes
Physical Review B
Sharee J. McNab, Richard J. Blaikie
Materials Research Society Symposium - Proceedings
R. Ghez, M.B. Small
JES
R.J. Gambino, N.R. Stemple, et al.
Journal of Physics and Chemistry of Solids