Intermolecular forces and fixed-node diffusion Monte Carlo: A brute force test of accuracies for He2 and He-LiH

Journal of Chemical Physics

Volumn 119, Issue 16, 2003, Pages 8225-8228

  Mella, Massimo ^a   Anderson, James B ^b  

^a UNIVERSITY OF MILAN   (Italy)

^b PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; COMPUTER SIMULATION; DIFFUSION; ELECTRONIC STRUCTURE; GROUND STATE; HAMILTONIANS; HELIUM; MONTE CARLO METHODS; NUMERICAL ANALYSIS; QUANTUM THEORY; VAN DER WAALS FORCES;

FIXED NODE DIFFUSION; INTERACTION ENERGIES; INTERMOLECULAR FORCES;

MOLECULAR DYNAMICS;

EID: 0242509332     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1612479     Document Type: Article

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