Theorems on ground-state phase transitions in Kohn-Sham models given by the Coulomb density functional

preprint2010arXivOpen access

Abstract

Some theorems on derivatives of the Coulomb density functional with respect to the coupling constant λλ are given. Consider an electron density nGS(r)n_{GS}({\bf r}) given by a ground state. A model Fermion system with the reduced coupling constant, λ<1λ<1, is defined to reproduce nGS(r)n_{GS}({\bf r}) and the ground state energy. Fixing the charge density, possible phase transitions as level crossings detected in a value of the reduced density functional happen only at discrete points along the λλ axis. If the density is vv-representable also for λ<1λ<1, accumulation of phase transition points is forbidden when λ→1λ\rightarrow 1. Relevance of the theorems for the multi-reference density functional theory is discussed.

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