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 language | English |
|---|---|
| Pages (from-to) | 248-254 |
| Number of pages | 7 |
| Journal | Journal of Magnetism and Magnetic Materials |
| Volume | 47-48 |
| Issue number | C |
| DOIs | |
| Publication status | Published - 1985 |
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ASJC Scopus subject areas
- Condensed Matter Physics
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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 journal › Article
}
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 -