Second order Møller-Plesset perturbation theory based upon the fragment molecular orbital method

Journal of Chemical Physics

Volumn 121, Issue 6, 2004, Pages 2483-2490

  Fedorov, Dmitri G ^a   Kitaura, Kazuo ^a  

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

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CARRIER CONCENTRATION; DATA ACQUISITION; DATA STORAGE EQUIPMENT; DIMERS; ELECTROSTATICS; MONOMERS; PROBABILITY DENSITY FUNCTION;

CORRELATION ENERGY; ELECTROSTATIC POTENTIAL (ESP) APPROXIMATIONS; FRAGMENT MOLECULAR ORBITAL (FMO); GENERALIZED DISTRIBUTED DATA INTERFACE (GDDI);

PERTURBATION TECHNIQUES;

EID: 4344708244     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1769362     Document Type: Article

References (12)

1. K. Kitaura, E. Ikeo, T. Asada, T. Nakano, and M. Uebayasi, Chem. Phys. Lett. 313, 701 (1999).
2. K. Kitaura, S.-I. Sugiki, T. Nakano, Y. Komeiji, and M. Uebayasi, Chem. Phys. Lett. 336, 163 (2001).
3. T. Nakano, T. Kaminuma, T. Sato, K. Fukuzawa, Y. Akiyama, M. Uebayasi, and K. Kitaura, Chem. Phys. Lett. 351, 475 (2002).
4. D. G. Fedorov and K. Kitaura, J. Chem. Phys. 120, 6832 (2004).
5. D. G. Fedorov and K. Kitaura, Chem. Phys. Lett. 389, 129 (2004).
6. C. M. Aikens, S. P. Webb, R. L. Bell, G. D. Fletcher, M. W. Schmidt, and M. S. Gordon, Theor. Chem. Acc. 110, 233 (2003).
7. P. Pulay, Chem. Phys. Lett. 100, 151 (1983).
8. M. Schütz, G. Hetzer, and H.-J. Werner, J. Chem. Phys. 111, 5691 (1999).
9. D. G. Fedorov, R. M. Olson, K. Kitaura, M. S. Gordon, and S. Koseki, J. Comput. Chem. 25, 872 (2004).
10. M. W. Schmidt, K. K. Baldridge, J. A. Boatz et al., J. Comput. Chem. 14, 1347 (1993).
11. G. D. Fletcher, M. W. Schmidt, and M. S. Gordon, Adv. Chem. Phys. 110, 267 (1999).
12. G. D. Fletcher, M. W. Schmidt, B. M. Bode, and M. S. Gordon, Comput. Phys. Commun, 128, 190 (2000).