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Journal of Chemical Physics

Volumn 115, Issue 21, 2001, Pages 9685-9697

Direct optimization of the atomic-orbital density matrix using the conjugate-gradient method with a multilevel preconditioner

(3) Larsen, H a Olsen, J a Jorgensen P a

a AARHUS UNIVERSITY (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CALCULATIONS; MATRIX ALGEBRA; MOLECULAR STRUCTURE; OPTIMIZATION; PROBABILITY DENSITY FUNCTION;

ATOMIC ORBITAL DENSITY MATRIX; CONJUGATE GRADIENT METHOD; FOCK-KOHN-SHAM MATRIX; MULTILEVEL PRECONDITIONER; ROOTHAAN-HALL FIELD EQUATION;

ATOMIC PHYSICS;

EID: 0035585126 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1415083 Document Type: Article

Times cited : (43)

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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.