Computational physics, local density theory and mixed valence

Research output: Contribution to journalArticle

Abstract

The role and nature of computational physics and its relationship to the other separate branches of physics - analytic theory and experimental physics - are discussed. Some aspects of local (spin) density functional theory and, in particular, the recent development of an all-electron total energy full potential energy band approach for determining the electronic structure of bulk solids and surfaces (the FLAPW method), are described. An example of the application of this approach is given using results recently obtained for the mixed valent compound, TmSe, by Jansen, Freeman and Monnier.

Original languageEnglish
Pages (from-to)248-254
Number of pages7
JournalJournal of Magnetism and Magnetic Materials
Volume47-48
Issue numberC
DOIs
Publication statusPublished - 1985

Fingerprint

Physics
valence
physics
Potential energy
Band structure
Electronic structure
Density functional theory
energy bands
potential energy
density functional theory
electronic structure
Electrons
electrons
energy

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Computational physics, local density theory and mixed valence. / Freeman, Arthur J.

In: Journal of Magnetism and Magnetic Materials, Vol. 47-48, No. C, 1985, p. 248-254.

Research output: Contribution to journalArticle

@article{5609727efc5d402391314bc26e891066,
title = "Computational physics, local density theory and mixed valence",
abstract = "The role and nature of computational physics and its relationship to the other separate branches of physics - analytic theory and experimental physics - are discussed. Some aspects of local (spin) density functional theory and, in particular, the recent development of an all-electron total energy full potential energy band approach for determining the electronic structure of bulk solids and surfaces (the FLAPW method), are described. An example of the application of this approach is given using results recently obtained for the mixed valent compound, TmSe, by Jansen, Freeman and Monnier.",
author = "Freeman, {Arthur J}",
year = "1985",
doi = "10.1016/0304-8853(85)90406-8",
language = "English",
volume = "47-48",
pages = "248--254",
journal = "Journal of Magnetism and Magnetic Materials",
issn = "0304-8853",
publisher = "Elsevier",
number = "C",

}

TY - JOUR

T1 - Computational physics, local density theory and mixed valence

AU - Freeman, Arthur J

PY - 1985

Y1 - 1985

N2 - The role and nature of computational physics and its relationship to the other separate branches of physics - analytic theory and experimental physics - are discussed. Some aspects of local (spin) density functional theory and, in particular, the recent development of an all-electron total energy full potential energy band approach for determining the electronic structure of bulk solids and surfaces (the FLAPW method), are described. An example of the application of this approach is given using results recently obtained for the mixed valent compound, TmSe, by Jansen, Freeman and Monnier.

AB - The role and nature of computational physics and its relationship to the other separate branches of physics - analytic theory and experimental physics - are discussed. Some aspects of local (spin) density functional theory and, in particular, the recent development of an all-electron total energy full potential energy band approach for determining the electronic structure of bulk solids and surfaces (the FLAPW method), are described. An example of the application of this approach is given using results recently obtained for the mixed valent compound, TmSe, by Jansen, Freeman and Monnier.

UR - http://www.scopus.com/inward/record.url?scp=0021370498&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0021370498&partnerID=8YFLogxK

U2 - 10.1016/0304-8853(85)90406-8

DO - 10.1016/0304-8853(85)90406-8

M3 - Article

AN - SCOPUS:0021370498

VL - 47-48

SP - 248

EP - 254

JO - Journal of Magnetism and Magnetic Materials

JF - Journal of Magnetism and Magnetic Materials

SN - 0304-8853

IS - C

ER -