Elongation method with cutoff technique for linear SCF scaling

International Journal of Quantum Chemistry

Volumn 102, Issue 5 SPEC. ISS., 2005, Pages 785-794

  Korchowiec, Jacek ^a,b   Gu, Feng Long ^a   Imamura, Akira ^c   Kirtman, Bernard ^d   Aoki, Yuriko ^a,e  

^a JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

^b JAGIELLONIAN UNIVERSITY   (Poland)

^c HIROSHIMA KOKUSAI GAKUIN UNIVERSITY   (Japan)

^d UNIVERSITY OF CALIFORNIA   (United States)

^e KYUSHU UNIVERSITY   (Japan)

Author keywords

Cutoff technique; Elongation method; Linear scaling methods; O(N) methods; Polyglycine conformers

Indexed keywords

AMINO ACIDS; ELECTRONIC STRUCTURE; ELECTRONS; INTEGRAL EQUATIONS; LARGE SCALE SYSTEMS; OPTIMIZATION; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

CUTOFF TECHNIQUE; ELONGATION METHOD; LINEAR SCALING METHODS; O(N) METHODS; POLYGLYCINE CONFORMERS;

CONFORMATIONS;

EID: 17644368239     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20448     Document Type: Article

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