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A graph approach to the gradient expansion of density functionals
Author(s) -
Kozłowski Pawel M.,
Nalewajski Roman F.
Publication year - 1986
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560300721
Subject(s) - virial theorem , graph , mathematics , statistical physics , kinetic energy , representation (politics) , physics , combinatorics , quantum mechanics , galaxy , politics , political science , law
A graph representation of terms in the gradient expansion of the kinetic energy density functional is presented. We briefly discuss the implications of the virial theorem for the graph structure and relations between possible graphs at a given order of expansion.