Density functional theory and multicomponent wave functions
Jacek Karwowski
Abstract 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 4N‐component wave function, to the construction of a Lorentz and gauge covariant density functional theory is suggested. © 2012 Wiley Periodicals, Inc.
International Journal of Quantum Chemistry•Mar 19, 2012•5 citations