Implementation and testing of a frozen density matrix-divide and conquer algorithm

Journal of Physical Chemistry A

Volumn 103, Issue 12, 1999, Pages 1868-1875

  Ermolaeva, Maria D ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; APPROXIMATION THEORY; COMPUTER SIMULATION; ELECTRONIC STRUCTURE; MONTE CARLO METHODS; QUANTUM THEORY;

FROZEN DENSITY MATRIX (FDM);

MOLECULAR DYNAMICS;

EID: 0032657904     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp984312o     Document Type: Article

References (1)

1. Parr, R. G. Annu. Rev. Phys. Chem. 1983, 34, 631-656.