Resonating valence bond wave function with molecular orbitals: Application to first-row molecules

Journal of Chemical Physics

Volumn 131, Issue 15, 2009, Pages

  Marchi, Mariapia ^a,b   Azadi, Sam ^a   Casula, Michele ^c   Sorella, Sandro ^a,b  

^a SISSA   (Italy)

^b DEMOCRITOS NATIONAL SIMULATION CENTER   (Italy)

^c CENTRE DE PHYSIQUE THÉORIQUE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

HARTREE-FOCK; HETERONUCLEAR; HOMONUCLEAR; NONDYNAMICAL CORRELATION; PHYSICAL AND CHEMICAL PROPERTIES; QUANTUM CHEMICAL CALCULATIONS; QUANTUM MONTE CARLO; REAL-SPACE; RESONATING VALENCE BONDS; SLATER DETERMINANTS; VAN DER WAALS INTERACTIONS; VARIATIONAL APPROACHES; VARIATIONAL OPTIMIZATION;

CHEMICAL BONDS; CHEMICAL PROPERTIES; CONSTRAINED OPTIMIZATION; MOLECULAR MODELING; MOLECULAR ORBITALS; MONTE CARLO METHODS; OLIGOMERS; VAN DER WAALS FORCES; WAVE FUNCTIONS;

VARIATIONAL TECHNIQUES;

EID: 70449338119     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3249966     Document Type: Article

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