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Jacek Karwowski Density functional theory and multicomponent wave functions International Journal of Quantum Chemistry 113

Article first published online: 19 MAR 2012 | DOI: 10.1002/qua.24037

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Some consequences of using multi-component wave functions are analyzed in this article, with particular emphasis on the, paradoxical properties of a density functional derived from Dirac and Lévy-Leblond equations. 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 discussed in this context.

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