Published October 1981 | Version v1
Journal article

Dependence of the Thomas-Fermi energy on the nuclear coordinates

Creators

  • 1. Rockefeller Univ., New York (USA)

Description

Let E(R), respectively e(R), denote the total energy, respectively the electronic contribution to the energy, in the Thomas-Fermi theory for a system of two fixed nuclei a distance R apart. We prove that e(R) and -E(R) increase as R does. For the case of N fixed nuclei, we prove the monotonicity of e and E under certain displacements of the coordinates of the nuclei. The analogous result for the electronic contribution of the Born-Oppenheimer energy is proved. (orig.)

Additional details

Publishing Information

Journal Title
Commun. Math. Phys.
Journal Volume
81
Journal Issue
3
Series
Commun. Math. Phys.
Journal Page Range
419-428
ISSN
0010-3616

INIS

Country of Publication
Germany
Country of Input or Organization
Germany
INIS RN
13662498
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Descriptors DEI
BORN-OPPENHEIMER APPROXIMATION; ELECTRONIC STRUCTURE; MOLECULAR STRUCTURE; MOLECULES; SPATIAL DISTRIBUTION; THOMAS-FERMI MODEL
Descriptors DEC
ATOMIC MODELS; DISTRIBUTION; MATHEMATICAL MODELS