Kohn-Sham orbitals and potentials from quantum Monte Carlo molecular densities

Journal of Chemical Physics

Volumn 140, Issue 5, 2014, Pages

  Varsano, Daniele ^a,c   Barborini, Matteo ^b   Guidoni, Leonardo ^b  

^a SAPIENZA UNIVERSITY OF ROME   (Italy)

^b UNIVERSITY OF L'AQUILA   (Italy)

^c CNR   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ETHYLENE; MOLECULAR PHYSICS; MONTE CARLO METHODS; QUANTUM CHEMISTRY; WAVE FUNCTIONS;

EXCHANGE-CORRELATION POTENTIAL; KOHN-SHAM ORBITALS; MOLECULAR DENSITY; ORBITAL ENERGY; QUANTUM CHEMISTRY METHODS; QUANTUM MONTE CARLO; REFERENCE DENSITIES; VARIATIONAL MONTE CARLO;

DENSITY FUNCTIONAL THEORY;

EID: 84904002122     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4863213     Document Type: Article

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