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Zeitschrift fur Physikalische Chemie

Volumn 224, Issue 3-4, 2010, Pages 413-426

A quasirelativistic two-component density functional and Hartree-Fock program

(1) Van Wüllen, Christoph a

a Rheinland Pfälzische Technische Universität Kaiserslautern Landau (Germany)

Author keywords

Density functional theory; Hartree fock; Magnetic anisotropy; Relativistic; Spin orbit coupling; Two component

Indexed keywords

DENSITY FUNCTIONAL THEORY; HAMILTONIANS; MATRIX ALGEBRA; SPIN ORBIT COUPLING;

DOUGLAS-KROLL-HESS HAMILTONIANS; EFFECTIVE CORE POTENTIAL; HARTREE-FOCK; INTERNAL REPRESENTATION; MAGNETIC ANISOTROPY ENERGY; RELATIVISTIC; TWO-COMPONENT; ZEROTH-ORDER REGULAR APPROXIMATIONS;

MAGNETIC ANISOTROPY;

EID: 77953317122 PISSN: 09429352 EISSN: None Source Type: Journal
DOI: 10.1524/zpch.2010.6114 Document Type: Article

Times cited : (57)

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