Monotonicity of the electronic contribution to the Born-Oppenheimer energy

E. H. Lieb; B. Simon

doi:10.1088/0022-3700/11/18/003

Monotonicity of the electronic contribution to the Born-Oppenheimer energy

E. H. Lieb, B. Simon

Mathematics

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Abstract

Let E(R) denote the ground-state energy of a single electron and two fixed nuclei of charges z_A and z_B a distance R apart. Let e(R)=E(R)-z_Az_BR^-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 language	English (US)
Article number	003
Pages (from-to)	L537-L542
Journal	Journal of Physics B: Atomic and Molecular Physics
Volume	11
Issue number	18
DOIs	https://doi.org/10.1088/0022-3700/11/18/003
State	Published - 1978

All Science Journal Classification (ASJC) codes

Atomic and Molecular Physics, and Optics

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10.1088/0022-3700/11/18/003

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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.",

author = "Lieb, {E. H.} and B. Simon",

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AU - Simon, B.

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AB - 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.

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ER -

Monotonicity of the electronic contribution to the Born-Oppenheimer energy

Abstract

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