Accurate forces in quantum Monte Carlo calculations with nonlocal pseudopotentials

Physical Review E - Statistical, Nonlinear, and Soft Matter Physics

Volumn 76, Issue 3, 2007, Pages

  Badinski, A ^a   Needs, R J ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BOND LENGTH; HARMONIC ANALYSIS; MOLECULAR STRUCTURE; MONTE CARLO METHODS; PROBLEM SOLVING;

EQUILIBRIUM BOND LENGTHS; HELLMANN-FEYNMAN FORCES; NONLOCAL PSEUDOPOTENTIALS;

QUANTUM THEORY;

EID: 34548855740     PISSN: 15393755     EISSN: 15502376     Source Type: Journal    
DOI: 10.1103/PhysRevE.76.036707     Document Type: Article

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