Fragment molecular orbital method: Analytical energy gradients

Chemical Physics Letters

Volumn 336, Issue 1-2, 2001, Pages 163-170

  Kitaura, Kazuo ^a   Sugiki, Sin Ichirou ^a   Nakano, Tatsuya ^b   Komeiji, Yuto ^c   Uebayasi, Masami ^c  

^a Osaka P   (Japan)

^b NATIONAL INSTITUTE OF HEALTH SCIENCES   (Japan)

^c NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001483979     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(01)00099-9     Document Type: Article

References (10)

1. Kitaura K., Sawai T., Asada T., Nakano T., Uebayasi M. Chem. Phys. Lett. 312:1999;319.
2. Kitaura K., Ikeo E., Asada T., Nakano T., Uebayasi M. Chem. Phys. Lett. 313:1999;701.
3. Nakano T., Kaminuma T., Sato T., Akiyama Y., Uebayasi M., Kitaura K. Chem. Phys. Lett. 318:2000;614.
4. O. Kikuchi, T. Nakano, K. Morihashi, ABINIT, University of Tsukuba, Tsukuba, 1992.
5. M.J. Frisch et al., GAUSSIAN 94, Revision D.4, Gaussian Inc., Pittsburgh, PA, 1995.
6. T. Nakano et al., to be published.
7. Y. Yamaguch, Y. Osamura, D.J. Goddard, H.F. Schaefer, A new dimension of quantum chemistry: analytical derivative methods in ab initio molecular electronic structure theory, in: J.S. Rowlinson (Ed.), Oxford University Press, Oxford, UK, 1994.
8. HyperChem Rel.4.5, Hypercube, Inc., Waterloo, 1994.
9. Reed A.E., Weinstock R.B., Weinhold F. J. Chem. Phys. 83:1985;735.
10. K. Kitaura et al., to be published.