Smooth relativistic Hartree-Fock pseudopotentials for H to Ba and Lu to Hg

Journal of Chemical Physics

Volumn 122, Issue 17, 2005, Pages

  Trail, J R ^a   Needs, R J ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

HARTEE-FOCK PSEUDOPOTENTIALS; QUANTUM CHEMISTRY; RELATIVISTIC EFFECTS; WAVE FUNCTION;

CARRIER CONCENTRATION; DIFFUSION; ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; ERROR ANALYSIS; MONTE CARLO METHODS; POLARIZATION; PROBABILITY DENSITY FUNCTION;

QUANTUM THEORY;

EID: 18744379498     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1888569     Document Type: Article

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