Computational physics, local density theory and mixed valence

A. J. Freeman

doi:10.1016/0304-8853(85)90406-8

Computational physics, local density theory and mixed valence

A. J. Freeman^*

^*Corresponding author for this work

Physics and Astronomy

Research output: Contribution to journal › Article › peer-review

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 (US)
Pages (from-to)	248-254
Number of pages	7
Journal	Journal of Magnetism and Magnetic Materials
Volume	47-48
Issue number	C
DOIs	https://doi.org/10.1016/0304-8853(85)90406-8
State	Published - Feb 1985

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics

Access to Document

10.1016/0304-8853(85)90406-8

Cite this

@article{d3f2564fccb745e7a0322e8c9fdb109b,

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, {A. J.}",

note = "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).",

year = "1985",

month = feb,

doi = "10.1016/0304-8853(85)90406-8",

language = "English (US)",

volume = "47-48",

pages = "248--254",

journal = "Journal of Magnetism and Magnetic Materials",

issn = "0304-8853",

publisher = "Elsevier B.V.",

number = "C",

}

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).

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

SN - 0304-8853

VL - 47-48

SP - 248

EP - 254

JO - Journal of Magnetism and Magnetic Materials

JF - Journal of Magnetism and Magnetic Materials

IS - C

ER -

Computational physics, local density theory and mixed valence

Abstract

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this