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Usvyat, Denis ; Schütz, Martin

Nonorthogonal ultralocalized functions and fitted Wannier functions for local electron correlation methods for solids

Usvyat, Denis and Schütz, Martin (2005) Nonorthogonal ultralocalized functions and fitted Wannier functions for local electron correlation methods for solids. Theoretical Chemistry Accounts 114 (4-5), pp. 276-282.

Date of publication of this fulltext: 19 Dec 2024 14:55
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Item typeArticle
Journal or Publication TitleTheoretical Chemistry Accounts
Publisher:SPRINGER
Place of Publication:NEW YORK
Volume:114
Number of Issue or Book Chapter:4-5
Page Range:pp. 276-282
Date2005
InstitutionsChemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Research Group Theoretical Chemistry > Prof. Dr. Martin Schütz
Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Research Group Theoretical Chemistry > PD Dr. Denis Usvyat
Identification Number
ValueType
10.1007/s00214-005-0685-5DOI
KeywordsINCREMENTAL CORRELATION TREATMENT; COMPOSITE ENERGY-BANDS; CRYSTALLINE SOLIDS; ORBITALS; METALS; MP2; Wanniee functions; nonorthogonal localized functions; local correlation methods; symmetry in crystals
Dewey Decimal Classification500 Science > 540 Chemistry & allied sciences
StatusPublished
RefereedYes, this version has been refereed
Created at the University of RegensburgYes
Item ID70466

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