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

Author: Kashiwagi Hiroshi   Iwai Hiromi   Tokieda Kouji   Era Makoto   Sumita Toyokuni   Yoshihiro Tamotsu   Sato Fumitoshi  

Publisher: Taylor & Francis Ltd

ISSN: 1362-3028

Source: Molecular Physics, Vol.101, Iss.1-2, 2003-01, pp. : 81-86

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Abstract