Approaching chemical accuracy with quantum Monte Carlo

Journal of Chemical Physics

Volumn 136, Issue 12, 2012, Pages

  Petruzielo, F R ^a   Toulouse, Julien ^b   Umrigar, C J ^a  

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

^b SORBONNE UNIVERSITÉ   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE SPACES; ATOMIZATION ENERGIES; BASIS SETS; COMPLETE ACTIVE SPACE; DIFFUSION MONTE CARLO; HARTREE-FOCK ORBITALS; MEAN ABSOLUTE DEVIATIONS; ORBITALS; QUANTUM MONTE CARLO; QUANTUM MONTE CARLO STUDIES; SIZE DEPENDENCE; TRIAL WAVEFUNCTION; VARIATIONAL MONTE CARLO;

ATOMIZATION; DIFFUSION; PHOSPHORUS;

MONTE CARLO METHODS;

EID: 84859530189     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3697846     Document Type: Article

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