Pure-state n-representability in current-spin-density functional theory

David Gontier

doi:10.4310/CMS.2016.v14.n4.a6

Pure-state n-representability in current-spin-density functional theory

David Gontier

Research output: Contribution to journal › Article › peer-review

Abstract

This paper is concerned with the pure-state N-representability problem for systems under a magnetic field. Necessary and sufficient conditions are given for a spin-density 2×2 matrix R to be representable by a Slater determinant. We also provide sufficient conditions on the paramagnetic current j for the pair (R,j) to be Slater-representable in the case where the number of electrons N is greater than 12. The case N<12 is left open.

Original language	English
Pages (from-to)	987-1003
Number of pages	17
Journal	Communications in Mathematical Sciences
Volume	14
Issue number	4
DOIs	https://doi.org/10.4310/CMS.2016.v14.n4.a6
Publication status	Published - 1 Jan 2016

Keywords

Density functional theory
Paramagnetic current
Quantum theory
Representability

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10.4310/CMS.2016.v14.n4.a6

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KW - Quantum theory

KW - Representability

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Pure-state n-representability in current-spin-density functional theory

Abstract

Keywords

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