Determination of Kohn-Sham effective potentials from electron densities using the differential virial theorem

Journal of Chemical Physics

Volumn 137, Issue 16, 2012, Pages

  Ryabinkin, Ilya G ^a   Staroverov, Viktor N ^a  

^a UNIVERSITY OF WESTERN ONTARIO   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; ARGON ATOMS; ASYMPTOTIC BEHAVIORS; CORRELATION POTENTIAL; DIFFERENTIAL VIRIAL THEOREM; EFFECTIVE POTENTIALS; EXACT RELATIONS; EXCHANGE-CORRELATIONS; GAUSSIAN-TYPE BASIS SETS; HIGH QUALITY; KINETIC ENERGY DENSITY; KOHN-SHAM POTENTIAL; PRACTICAL IMPLEMENTATION; SYMMETRIC SYSTEMS;

CARRIER CONCENTRATION; ELECTRONS; KINETIC THEORY OF GASES; KINETICS;

ELECTRON DENSITY MEASUREMENT;

EID: 84868355638     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4763481     Document Type: Article

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