The Linear Muffin-Tin Orbitals/Tight-Binding/Direct-Screening Method for the Calculation of the Electronic Structure of Crystals Full article
Journal |
Journal of Physics Condensed Matter
ISSN: 0953-8984 , E-ISSN: 1361-648X |
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Output data | Year: 1992, Volume: 4, Number: 4, Pages: 1069-1080 Pages count : 12 DOI: 10.1088/0953-8984/4/4/017 | ||||
Authors |
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Affiliations |
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Funding (1)
1 | Government of the Russian Federation | 198 |
Abstract:
A new version of the tight-binding representation of the linear muffin-tin orbitals method based on the direct-screening of the muffin-tin orbitals (LMTO-TB-DS) is presented. The equations for the screened basis wavefunctions, the screened structure matrix and the corresponding Hamiltonian are obtained. Test calculations of the chromium and YBa2Cu3O7 band structures proved the validity and accuracy of the method.
Cite:
Borovskoi E.M.
, Kraftmakher A.Y.
, Tapilin V.M.
The Linear Muffin-Tin Orbitals/Tight-Binding/Direct-Screening Method for the Calculation of the Electronic Structure of Crystals
Journal of Physics Condensed Matter. 1992. V.4. N4. P.1069-1080. DOI: 10.1088/0953-8984/4/4/017 WOS Scopus РИНЦ
The Linear Muffin-Tin Orbitals/Tight-Binding/Direct-Screening Method for the Calculation of the Electronic Structure of Crystals
Journal of Physics Condensed Matter. 1992. V.4. N4. P.1069-1080. DOI: 10.1088/0953-8984/4/4/017 WOS Scopus РИНЦ
Dates:
Submitted: | Mar 27, 1991 |
Accepted: | Jul 16, 1991 |
Published print: | Jan 27, 1992 |
Published online: | Jan 1, 1999 |
Identifiers:
Web of science | WOS:A1992HC70900017 |
Scopus | 2-s2.0-0343839981 |
Elibrary | 31142082 |
Chemical Abstracts | 1992:113756 |
Chemical Abstracts (print) | 116:113756 |
OpenAlex | W2004005881 |