Journal article
Functional constructions with specified functional derivatives
Abstract
A bifunctional construction depending on a specified density–potential pair and an approximate guiding electron density functional is presented. The proposed bifunctional construction properly transforms under homogeneous coordinate scaling and yields the specified functional derivative, which determines the electron density. Whereas the method is general and applicable to all functional types, it will prove especially helpful in the context of …
Authors
Finzel K; Ayers PW
Journal
Theoretical Chemistry Accounts, Vol. 135, No. 12,
Publisher
Springer Nature
Publication Date
12 2016
DOI
10.1007/s00214-016-2013-7
ISSN
1432-881X