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Journal of Chemical Physics

Volumn 129, Issue 12, 2008, Pages

Efficient and robust quantum Monte Carlo estimate of the total and spin electron densities at nuclei

(2) Hakansson P a,b Mella, Massimo a

a CARDIFF UNIVERSITY (United Kingdom)

b UNIVERSITY OF SOUTHAMPTON (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CARRIER CONCENTRATION; COST REDUCTION; ELECTRON DENSITY MEASUREMENT; ELECTRONS; ESTIMATION; FERMI SURFACE; MONTE CARLO METHODS; SAMPLING; SPIN DYNAMICS;

ATOMIC SYSTEMS; COMPUTATIONAL PERFORMANCE; CORE REGIONS; ELECTRON DENSITIES; FERMIONIC SYSTEMS; ORDER-OF MAGNITUDES; QUANTUM MONTE CARLO; SAMPLING ALGORITHMS; SAMPLING STRATEGIES; SIMULATION COSTS; SPIN DENSITIES; SPIN ELECTRONS; TEST SETS; VARIATIONAL QUANTUM MONTE CARLO;

QUANTUM EFFICIENCY;

EID: 52949104008 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.2982930 Document Type: Article

Times cited : (6)

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