Inclusion of relativistic effects in Gaussian-basis density functional calculations for extended systems

Journal of Molecular Structure: THEOCHEM

Volumn 501-502, Issue , 2000, Pages 285-296

  Boettger, J C ^a   Trickey, S B ^b  

^a LOS ALAMOS NATIONAL LABORATORY   (United States)

^b UNIVERSITY OF FLORIDA   (United States)

Author keywords

Density functional calculations; Extended systems; Relativistic effects

Indexed keywords

ALGORITHM; ARTICLE; CALCULATION; CRYSTAL STRUCTURE; DENSITY; ELECTRON; FILM; MOLECULAR INTERACTION; QUANTUM CHEMISTRY;

EID: 0034725005     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(99)00440-6     Document Type: Article

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