TY - JOUR
T1 - Computational physics, local density theory and mixed valence
AU - Freeman, A. J.
N1 - Funding Information:
In many of the papers and discussions at this conference, there emerges what appears to be a misunderstanding of the role and nature of computational physics and, in particular, of its relationship to analytical theory. This may follow from the fact that it is only recently that strong recognition has emerged that computational physics is by its nature, methods and needs, so different and so separate from the two well-known and well-recognized branches of physics - analytic theoretical physics and experimental physics as to con- * Supported by the US National Science Foundation (Grant No. DMR82-16543).
Copyright:
Copyright 2014 Elsevier B.V., All rights reserved.
PY - 1985/2
Y1 - 1985/2
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 -