starting potential for band theory calculations generated from Thomas-Fermi theory

File
Publisher
Florida Atlantic University
Date Issued
1988
Description
The purpose of this thesis is to generate a starting potential from Thomas-Fermi theory and verify that this leads to expedient convergence of the energy eigenvalues. The potential was generated for various elements, representative of the 3d and 4d elements, as well as the simple metals, for different lattice constants. They were inserted into a quadratic Korringa-Kohn-Rostoker band theory program. They lead to self-consistent results at a faster rate than the potentials given by Moruzzi, Janak, and Williams for lattice constants for which the lattice was not in equilibrium.
Note

Thesis (M.S.)--Florida Atlantic University, 1988.

Language
Type
Extent
100 p.
Subject (Topical)
Identifier
14487
Additional Information
Thesis (M.S.)--Florida Atlantic University, 1988.
Charles E. Schmidt College of Science
FAU Electronic Theses and Dissertations Collection
Date Backup
1988
Date Text
1988
Date Issued (EDTF)
1988
Extension


FAU
FAU
admin_unit="FAU01", ingest_id="ing1508", creator="staff:fcllz", creation_date="2007-07-19 02:41:57", modified_by="staff:fcllz", modification_date="2011-01-06 13:09:12"

IID
FADT14487
Issuance
monographic
Organizations
Person Preferred Name

Horvath, Eva Antoinette
Graduate College
Physical Description

100 p.
application/pdf
Title Plain
starting potential for band theory calculations generated from Thomas-Fermi theory
Use and Reproduction
Copyright © is held by the author with permission granted to Florida Atlantic University to digitize, archive and distribute this item for non-profit research and educational purposes. Any reuse of this item in excess of fair use or other copyright exemptions requires permission of the copyright holder.
http://rightsstatements.org/vocab/InC/1.0/
Origin Information

1988
monographic

Boca Raton, FL

Florida Atlantic University
Physical Location
Florida Atlantic University Libraries
Place

Boca Raton, FL
Sub Location
Digital Library
Title
starting potential for band theory calculations generated from Thomas-Fermi theory
Other Title Info

A
starting potential for band theory calculations generated from Thomas-Fermi theory