Frozen density matrix approach for electronic structure calculations

International Journal of Quantum Chemistry

Volumn 69, Issue 3, 1998, Pages 397-404

  Lee, Tai Sung ^a   Yang, Weitao ^a,b  

^a DUKE UNIVERSITY   (United States)

^b HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Hong Kong)

Author keywords

Divide and conquer; Frozen density; Linear scaling; Local geometry optimization

Indexed keywords

EID: 0042387289     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(sici)1097-461x(1998)69:3<397::aid-qua17>3.0.co;2-%23     Document Type: Article

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