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Theorem for functional derivatives in density-functional theory

✍ Scribed by Ou-Yang, Hui; Levy, Mel


Book ID
115445099
Publisher
The American Physical Society
Year
1991
Tongue
English
Weight
177 KB
Volume
44
Category
Article
ISSN
1050-2947

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πŸ“œ SIMILAR VOLUMES


Generation of functional derivatives in
✍ Patrick J̈emmer; Peter J Knowles πŸ“‚ Article πŸ“… 1997 πŸ› Elsevier Science 🌐 English βš– 296 KB

A general procedure is presented for obtaining the ~.an of exchange-correlation potentials arising from semilocal electron density functionals. "me procedure is implemented as a Mathematica program, which can be used to obtain functional deri~ati~:es both in t~rms ,~f the density and its gradients,

in density-functional theory
✍ Janak, J. F. πŸ“‚ Article πŸ“… 1978 πŸ› The American Physical Society 🌐 English βš– 213 KB