Density-functional theory with effective potential expressed as a direct mapping of the external potential: Applications to atomization energies and ionization potentials

Journal of Chemical Physics

Volumn 125, Issue 23, 2006, Pages

  Glushkov, Vitaly N ^a   Fesenko, Sergey I ^a  

^a OLES HONCHAR DNIPRO NATIONAL UNIVERSITY   (Ukraine)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ATOMIZATION; IONIZATION; MAPPING; MOLECULAR DYNAMICS; OPTIMIZATION; PARAMETER ESTIMATION;

ATOMIZATION ENERGIES; DENSITY FUNCTIONAL THEORY; IONIZATION POTENTIALS; SINGLE PARTICLE ORBITALS;

PROBABILITY DENSITY FUNCTION;

EID: 33845774253     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2403863     Document Type: Article

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