Impact of neglecting p-type spin-orbit coupling during electronic structure calculations on solids

International Journal of Quantum Chemistry

Volumn 100, Issue 6, 2004, Pages 845-850

  Boettger, Jonathan C ^a  

^a LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

Douglas Kroll transformation; Electronic structure; Equation of state; Lead (Pb); Spin orbit coupling

Indexed keywords

DOUGLAS KROLL TRANSFORMATIONS; LINEAR COMBINATIONS; SPIN ORBIT COUPLING; STRUCTURAL PHASE TRANSITIONS;

CHEMICAL BONDS; CRYSTALLINE MATERIALS; ELASTIC MODULI; EQUATIONS OF STATE; LATTICE CONSTANTS; MATHEMATICAL TRANSFORMATIONS; PHASE TRANSITIONS; PROBABILITY DENSITY FUNCTION;

ELECTRONIC STRUCTURE;

EID: 19944403247     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20147     Document Type: Conference Paper

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