Joy Y. Cheng, Daniel P. Sanders, et al.
SPIE Advanced Lithography 2008
A reference state whose electronic density is not necessarily equal to the true ground-state density is used in theoretical methods for electronic correlation in atoms and molecules. Because the density functional theory of Kohn and Sham postulates a model system for which these two density functions are identical, this postulate appears to preclude use of this model state as a reference state when formulating many-body corrections to the theory. This conflict is resolved by expressing the ground-state energy as a functional of the electronic density of a reference state determined by maximizing its projection on the true wavefunction.
Joy Y. Cheng, Daniel P. Sanders, et al.
SPIE Advanced Lithography 2008
R.J. Gambino, N.R. Stemple, et al.
Journal of Physics and Chemistry of Solids
S.F. Fan, W.B. Yun, et al.
Proceedings of SPIE 1989
Eloisa Bentivegna
Big Data 2022