A simple linear method in band theory application to B.C.C. tantalum

F. Lopez‐Aguilar

doi:https://doi.org/10.1002/pssb.2220950119

A simple linear method in band theory application to B.C.C. tantalum

F. Lopez‐Aguilar

Department of Physics

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

3 Citations (Scopus)

Abstract

Using a variational expression generalization for the APW method and radial part wave functions at fixed energies a diagonalizable secular matrix is obtained. A parameter relationship of the variational expression with potential depending variables is established. This method is applied to tantalum for which various band calculations by means of typical methods exist. It is noticed that, if there is some divergency, this is only a small one, and, in any case, can be solved by exchange and correlation potential parametrization. Copyright © 1979 WILEY‐VCH Verlag GmbH & Co. KGaA

Original language	English
Pages (from-to)	171-178
Journal	physica status solidi (b)
Volume	95
DOIs	https://doi.org/10.1002/pssb.2220950119
Publication status	Published - 1 Jan 1979

Access to Document

https://doi.org/10.1002/pssb.2220950119

Fingerprint Dive into the research topics of 'A simple linear method in band theory application to B.C.C. tantalum'. Together they form a unique fingerprint.

Cite this

@article{5dfbcc24eb734901a5f1237a8fc13921,

title = "A simple linear method in band theory application to B.C.C. tantalum",

abstract = "Using a variational expression generalization for the APW method and radial part wave functions at fixed energies a diagonalizable secular matrix is obtained. A parameter relationship of the variational expression with potential depending variables is established. This method is applied to tantalum for which various band calculations by means of typical methods exist. It is noticed that, if there is some divergency, this is only a small one, and, in any case, can be solved by exchange and correlation potential parametrization. Copyright {\textcopyright} 1979 WILEY‐VCH Verlag GmbH & Co. KGaA",

author = "F. Lopez‐Aguilar",

year = "1979",

month = jan,

day = "1",

doi = "https://doi.org/10.1002/pssb.2220950119",

language = "English",

volume = "95",

pages = "171--178",

}

TY - JOUR

T1 - A simple linear method in band theory application to B.C.C. tantalum

AU - Lopez‐Aguilar, F.

PY - 1979/1/1

Y1 - 1979/1/1

N2 - Using a variational expression generalization for the APW method and radial part wave functions at fixed energies a diagonalizable secular matrix is obtained. A parameter relationship of the variational expression with potential depending variables is established. This method is applied to tantalum for which various band calculations by means of typical methods exist. It is noticed that, if there is some divergency, this is only a small one, and, in any case, can be solved by exchange and correlation potential parametrization. Copyright © 1979 WILEY‐VCH Verlag GmbH & Co. KGaA

AB - Using a variational expression generalization for the APW method and radial part wave functions at fixed energies a diagonalizable secular matrix is obtained. A parameter relationship of the variational expression with potential depending variables is established. This method is applied to tantalum for which various band calculations by means of typical methods exist. It is noticed that, if there is some divergency, this is only a small one, and, in any case, can be solved by exchange and correlation potential parametrization. Copyright © 1979 WILEY‐VCH Verlag GmbH & Co. KGaA

U2 - https://doi.org/10.1002/pssb.2220950119

DO - https://doi.org/10.1002/pssb.2220950119

M3 - Article

VL - 95

SP - 171

EP - 178

ER -