Electron-nucleus cusp correction scheme for the relativistic zeroth-order regular approximation quantum Monte Carlo method

Journal of Chemical Physics

Volumn 132, Issue 17, 2010, Pages

  Nakatsuka, Yutaka ^a,b,c   Nakajima, Takahito ^b,d   Hirao, Kimihiko ^b,c  

^a UNIVERSITY OF TOKYO   (Japan)

^b RIKEN   (Japan)

^c JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

^d INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS FUNCTIONS; CORRECTION FUNCTION; CORRECTION SCHEMES; COULOMB POTENTIAL; GAUSSIANS; LOCAL ENERGY; LOGARITHMIC CORRECTIONS; NONRELATIVISTIC; NUMERICAL STABILITIES; QMC METHOD; QUANTUM MONTE CARLO METHODS; ZEROTH-ORDER REGULAR APPROXIMATIONS;

CHEMICAL BONDS; ELECTRIC FIELDS; EXPONENTIAL FUNCTIONS; MOLECULAR ORBITALS;

MONTE CARLO METHODS;

EID: 78049355501     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3418557     Document Type: Article

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