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

Abstract

Some theorems on derivatives of the Coulomb density functional with respect to the coupling constant $\lambda$ are given. Consider an electron density $n_{GS}(\mathbf{r})$ given by a ground state. A model Fermion system with the reduced coupling constant, $\lambda <1$, is defined to reproduce $n_{GS}(\mathbf{r})$ 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 $\lambda$ axis. If the density is $v$-representable also for $\lambda <1$, accumulation of phase transition points is forbidden when $\lambda \to 1$. Relevance of the theorems for the multi-reference density functional theory is discussed.

19 pages

References in corpus (2)

• Pair-Hopping Mechanism for Layered Superconductors
• A self-consistent first-principles calculation scheme for correlated electron systems

Cited by in corpus (1)

• Interplanar stiffness in defect-free monocrystalline graphite