Published October 1981
| Version v1
Journal article
Dependence of the Thomas-Fermi energy on the nuclear coordinates
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