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Density functional theory and multicomponent wave functions
Author(s) -
Karwowski Jacek
Publication year - 2012
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.24037
Subject(s) - wave function , covariant transformation , density functional theory , time dependent density functional theory , dirac (video compression format) , lorentz transformation , physics , mathematical physics , function (biology) , functional theory , gauge (firearms) , orbital free density functional theory , quantum mechanics , quantum electrodynamics , classical mechanics , materials science , evolutionary biology , neutrino , metallurgy , biology
Some consequences of using multicomponent wave functions are analyzed. In particular, paradoxical properties of a density functional derived from Dirac and Lévy‐Leblond equations are discussed. The application of a recently formulated N ‐electron “relativistic Schrödinger theory,” based on a 4 N ‐component wave function, to the construction of a Lorentz and gauge covariant density functional theory is suggested. © 2012 Wiley Periodicals, Inc.