Approximate density-functional calculations of spin densities in large molecular systems and complex solids : Computer simulation methods in physical chemistry: large molecules, fluids and solids

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Hauptverfasser: KÖHLER, C, SEIFERT, G, GERSTMANN, U, ELSTNER, M, OVERHOF, H, FRAUENHEIM, Th
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creator KÖHLER, C
SEIFERT, G
GERSTMANN, U
ELSTNER, M
OVERHOF, H
FRAUENHEIM, Th
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identifier ISSN: 1463-9076
ispartof PCCP. Physical chemistry chemical physics (Print), 2001, Vol.3 (23), p.5109-5114
issn 1463-9076
1463-9084
language eng
recordid cdi_pascalfrancis_primary_14141386
source Royal Society of Chemistry Journals Archive (1841-2007); Royal Society Of Chemistry Journals 2008-; Alma/SFX Local Collection
subjects Atomic and molecular physics
Corrections to electronic structure
Electronic structure of atoms, molecules and their ions: theory
Exact sciences and technology
Hyperfine interactions and isotope effects, jahn-teller effect
Physics
title Approximate density-functional calculations of spin densities in large molecular systems and complex solids : Computer simulation methods in physical chemistry: large molecules, fluids and solids
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