Convergence process with quasi-canonical localized orbital in all-electron SCF calculation on proteins

Molecular Physics

Volumn 101, Issue 1-2, 2003, Pages 81-86

  Kashiwagi, H ^a   Iwai, H ^a   Tokieda, K ^a   Era, M ^a   Sumita, T ^a   Yoshihiro, T ^a   Sato, F ^a  

^a KYUSHU INSTITUTE OF TECHNOLOGY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CARRIER CONCENTRATION; ELECTRONS; MOLECULAR DYNAMICS; MOLECULES; NUMERICAL METHODS; PROTEINS;

CYTOCHROME; ELECTRON DENSITY FUNCTIONAL; MOLECULAR ORBITAL CALCULATIONS; SELF CONSISTENT FIELD;

MOLECULAR PHYSICS;

EID: 1542288104     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/0026897021000026854     Document Type: Article

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