Atomic approximation to the projection on electronic states in the Douglas-Kroll-Hess approach to the relativistic Kohn-Sham method

Journal of Chemical Physics

Volumn 128, Issue 24, 2008, Pages

  Matveev, Alexei V ^a   Rösch, Notker ^a  

^a TECHNICAL UNIVERSITY OF MUNICH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ACTINIDES; ATOMIC PHYSICS; ATOMS; CALCULATIONS; CHEMICAL ELEMENTS; ENERGY CONSERVATION; ISOMERS; MATHEMATICAL TRANSFORMATIONS; MODAL ANALYSIS; PHOTOACOUSTIC EFFECT; POLYNOMIAL APPROXIMATION; TELEMETERING SYSTEMS; URANIUM;

AMERICAN INSTITUTE OF PHYSICS (AIP); ATOMIZATION ENERGIES; COMPUTATIONAL SAVINGS; DIATOMICS; DICATION; DOUGLAS KROLL; ENERGETIC PARAMETERS; ENERGY DERIVATIVES; EXTENDED SYSTEMS; HEAVY ELEMENTS; KOHN-SHAM (KS) METHOD; MOLECULAR SYSTEMS; PROJECTION TRANSFORMATION; RELATIVISTIC CALCULATIONS; RELATIVISTIC MODELS; SECOND ORDERS; SIZE DEPENDENCE; STRUCTURAL ISOMERS; STRUCTURAL PARAMETERS; WATER LIGANDS;

PROJECTION SYSTEMS;

EID: 46249111676     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2940352     Document Type: Article

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