Solving the secular equation including spin orbit coupling for systems with inversion and time reversal symmetry

J. J. Dongarra; J. R. Gabriel; D. D. Koelling; J. H. Wilkinson

doi:10.1016/0021-9991(84)90119-0

Solving the secular equation including spin orbit coupling for systems with inversion and time reversal symmetry

J. J. Dongarra, J. R. Gabriel, D. D. Koelling, J. H. Wilkinson

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

17 Scopus citations

Abstract

A computational method for computing the eigenvalues and eigenvectors of a class of matrices that arise in quantum mechanics involving time reversal and inversion symmetry is described. The algorithms presented have greatly reduced the computational effort required to solve this problem and also produce a stable, more accurate solution.

Original language	English
Pages (from-to)	278-288
Number of pages	11
Journal	Journal of Computational Physics
Volume	54
Issue number	2
DOIs	https://doi.org/10.1016/0021-9991(84)90119-0
State	Published - May 1984
Externally published	Yes

Funding

* Work supported the Office of Energy ‘Work supported Energy Research of $ Work supported Stanford University in part by the Applied Mathematical Sciences Research Program (KC-04-02) Research of the U.S. Department of Energy under Contract W-31.109-Eng-38. in part by the Condensed Matter Theory Program (KC-02-02-03) of the Oftice of the U.S. Department of Energy under Contract W-31.109.Eng-38. in part by the Applied Mathematical Sciences Research Program and in part by with support from the National Science Foundation under Grant MCS78-11985.

Funders	Funder number
National Science Foundation	MCS78-11985
U.S. Department of Energy	W-31.109-Eng-38, W-31.109, KC-02-02-03
Stanford University

Access to Document

10.1016/0021-9991(84)90119-0

Cite this

@article{8f77056394794a6c82cca3411c3edcbc,

title = "Solving the secular equation including spin orbit coupling for systems with inversion and time reversal symmetry",

abstract = "A computational method for computing the eigenvalues and eigenvectors of a class of matrices that arise in quantum mechanics involving time reversal and inversion symmetry is described. The algorithms presented have greatly reduced the computational effort required to solve this problem and also produce a stable, more accurate solution.",

author = "Dongarra, {J. J.} and Gabriel, {J. R.} and Koelling, {D. D.} and Wilkinson, {J. H.}",

year = "1984",

month = may,

doi = "10.1016/0021-9991(84)90119-0",

language = "English",

volume = "54",

pages = "278--288",

journal = "Journal of Computational Physics",

issn = "0021-9991",

publisher = "Elsevier",

number = "2",

}

TY - JOUR

T1 - Solving the secular equation including spin orbit coupling for systems with inversion and time reversal symmetry

AU - Dongarra, J. J.

AU - Gabriel, J. R.

AU - Koelling, D. D.

AU - Wilkinson, J. H.

PY - 1984/5

Y1 - 1984/5

N2 - A computational method for computing the eigenvalues and eigenvectors of a class of matrices that arise in quantum mechanics involving time reversal and inversion symmetry is described. The algorithms presented have greatly reduced the computational effort required to solve this problem and also produce a stable, more accurate solution.

AB - A computational method for computing the eigenvalues and eigenvectors of a class of matrices that arise in quantum mechanics involving time reversal and inversion symmetry is described. The algorithms presented have greatly reduced the computational effort required to solve this problem and also produce a stable, more accurate solution.

UR - http://www.scopus.com/inward/record.url?scp=0043109834&partnerID=8YFLogxK

U2 - 10.1016/0021-9991(84)90119-0

DO - 10.1016/0021-9991(84)90119-0

M3 - Article

AN - SCOPUS:0043109834

SN - 0021-9991

VL - 54

SP - 278

EP - 288

JO - Journal of Computational Physics

JF - Journal of Computational Physics

IS - 2

ER -

Solving the secular equation including spin orbit coupling for systems with inversion and time reversal symmetry

Abstract

Funding

Access to Document

Other files and links

Fingerprint

Cite this