Benchmark all-electron ab initio quantum Monte Carlo calculations for small molecules

Journal of Chemical Physics

Volumn 132, Issue 3, 2010, Pages

  Nemec, Norbert ^a   Towler, Michael D ^a   Needs, R J ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; BASIS SETS; BOND ENERGIES; CORRELATION ENERGY; DIFFUSION QUANTUM MONTE CARLO; ERROR CANCELLATION; HARTREE-FOCK; LINEAR PROJECTIONS; MEAN ABSOLUTE DEVIATIONS; NODAL SURFACE; QUANTUM MONTE CARLO CALCULATIONS; SMALL MOLECULES; TOTAL ENERGY;

CHEMICAL BONDS; ELECTRON ENERGY LEVELS; MONTE CARLO METHODS; QUANTUM CHEMISTRY;

DENSITY FUNCTIONAL THEORY;

EID: 78651465640     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3288054     Document Type: Article

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