Thomas-Fermi theory in a weak and locally uniform magnetic field and an electron-gas investigation of the electric and diamagnetic properties of the lowest triplet state of the hydrogen molecule

Thesis/Dissertation · Tue Jan 01 00:00:00 EST 1985

OSTI ID:6019017

Cina, J A

This state, in which the electron spins of the constituent H atoms are parallel, is the simplest example of a nonbonding interaction between inert atoms or molecules. Of primary interest is the effect of the nonbonding interaction on the polarizability, diamagnetic susceptibility, and chemical shielding of the dimer in the range of internuclear distance where overlap effects, rather than long range forces, dominate. The approaches taken are applications and generalizations of the electron gas model of Gordon and Kim, which may be understood within the framework of density functional theory. In studying the electrical properties of the triplet, the author uses the Thomas-Fermi-Dirac approximation to Hohenberg and Kohn's universal density functional for the energy of an inhomogeneous electron gas with all parallel spins in its lowest energy state. In order to treat the magnetic properties of interacting closed shell species in the electron gas model, he derives a generalization of Thomas-Fermi applicable to a locally homogeneous electron gas in a nearly uniform magnetic field. In both cases the explicit B/sup 2/ contribution to the Dirac exchange correction is shown to diverge. With these electron gas theories, the polarizability and diamagnetic susceptibility tensors of the hydrogen triplet in the additive density approximation are calculated.

• Research Organization: California Univ., Berkeley (USA)
• OSTI ID: 6019017
• Resource Relation: Other Information: Thesis (Ph. D.)
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
HYDROGEN
MOLECULES
THOMAS-FERMI MODEL
DIAMAGNETISM
ELECTRICAL PROPERTIES
ELECTRON GAS
TRIPLETS
ATOMIC MODELS
ELEMENTS
FLUIDS
GASES
MAGNETISM
MATHEMATICAL MODELS
MULTIPLETS
NONMETALS
PHYSICAL PROPERTIES
640302* - Atomic
Molecular & Chemical Physics- Atomic & Molecular Properties & Theory
640305 - Atomic
Molecular & Chemical Physics- Atomic & Molecular Theory- (-1987)