Monotonicity of the electronic contribution to the Born-Oppenheimer energy

E. H. Lieb, B. Simon

Research output: Contribution to journalArticle

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Abstract

Let E(R) denote the ground-state energy of a single electron and two fixed nuclei of charges zA and zB a distance R apart. Let e(R)=E(R)-zAzBR-1 be the electronic contribution. The authors prove that 'e(R) increases as R does' in two different ways: using correlation inequalities and using the theory of log concave functions. Various extensions are described.

Original languageEnglish (US)
Article number003
Pages (from-to)L537-L542
JournalJournal of Physics B: Atomic and Molecular Physics
Volume11
Issue number18
DOIs
StatePublished - Dec 1 1978

All Science Journal Classification (ASJC) codes

  • Atomic and Molecular Physics, and Optics

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