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Volumn 94, Issue 3, 2005, Pages

Accurate, efficient, and simple forces computed with quantum Monte Carlo methods

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON INTERACTIONS; ELECTRONIC DENSITIES; QUANTUM MONTE CARLO METHODS; SLATER-JASTROW TRIAL WAVE FUNCTION;

EID: 18044384242     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.94.036404     Document Type: Article
Times cited : (69)

References (18)
  • 4
    • 18044373393 scopus 로고    scopus 로고
    • note
    • z component of the density. A nonzero value as r → 0 would imply a discontinuity of ρ at the origin along the z direction.
  • 18
    • 18044376952 scopus 로고    scopus 로고
    • note
    • The filtered estimator can be applied to atoms with non-local pseudopotentials, where the density is replaced by a density matrix and a corresponding force density can be defined by summing over partial waves.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.