Optimization of quantum Monte Carlo wave functions by energy minimization

Journal of Chemical Physics

Volumn 126, Issue 8, 2007, Pages

  Toulouse, Julien ^a   Umrigar, C J ^b  

^a Department of Obstetrics Gynecology   (United States)

^b Laboratory of Atomic and Solid State Physics and Sibley School of Mechanical and Aerospace Engineering   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; HAMILTONIANS; MONTE CARLO METHODS; NEWTON-RAPHSON METHOD; OPTIMIZATION; PERTURBATION TECHNIQUES; WAVE FUNCTIONS;

CONFIGURATION STATE FUNCTIONS (CSF); ENERGY GRADIENT; ENERGY MINIMIZATION; PARAMETER VARIATIONS;

QUANTUM THEORY;

EID: 33847608703     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2437215     Document Type: Article

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