CASSCF version of density functional theory

  1. K. Nakata1,
  2. T. Ukai1,
  3. S. Yamanaka1,3,*,
  4. T. Takada2,3,
  5. K. Yamaguchi1,3

Article first published online: 17 AUG 2006

DOI: 10.1002/qua.21151

Issue

International Journal of Quantum Chemistry

International Journal of Quantum Chemistry

Special Issue: Proceedings of the International Symposium on Theory and Computations in Molecular and Materials Sciences, Biology, and Pharmacology

Volume 106, Issue 15, pages 3325–3333, 2006

Additional Information

How to Cite

Nakata, K., Ukai, T., Yamanaka, S., Takada, T. and Yamaguchi, K. (2006), CASSCF version of density functional theory. Int. J. Quantum Chem., 106: 3325–3333. doi: 10.1002/qua.21151

Author Information

  1. 1

    Department of Chemistry, Graduate School of Science, Osaka University, Toyonaka 560-0043, Japan

  2. 2

    NEC Corporation, Miyukigaoka, Tsukuba, Ibaraki, 305-8501, Japan

  3. 3

    CREST Project, Japan Science and Technology Agency, 4-1-8 Honcho, Kawaguchi City, Saitama 332-0012, Japan

*Department of Chemistry, Graduate School of Science, Osaka University, Toyonaka 560-0043, Japan

Publication History

  1. Issue published online: 26 SEP 2006
  2. Article first published online: 17 AUG 2006
  3. Manuscript Accepted: 22 MAY 2006
  4. Manuscript Received: 15 APR 2006

Funded by

  • Ministry of Education, Science, Sports and Culture (Japan)
  • JST

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