The VMFCI method: A flexible tool for solving the molecular vibration problem

Journal of Computational Chemistry

Volumn 27, Issue 5, 2006, Pages 627-640

  Cassam Chenai P ^a   Lievin J ^b  

^a UNIVERSITÉ DE NICE SOPHIA ANTIPOLIS   (France)

^b UNIVERSITÉ LIBRE DE BRUXELLES   (Belgium)

Author keywords

Molecular vibration problem; VMFCI method

Indexed keywords

EARTH ATMOSPHERE; HAMILTONIANS; HIERARCHICAL SYSTEMS; PROBLEM SOLVING;

ATMOSPHERIC INTEREST; MEAN FIELD CONFIGURATION INTERACTION; PARTITION OF MODES; VIBRATIONAL SELF-CONSISTENT FIELD; VMFCI METHOD;

MOLECULAR VIBRATIONS;

ARTICLE; CHEMICAL MODEL; COMPUTER SIMULATION; QUANTUM THEORY; VIBRATION;

COMPUTER SIMULATION; MODELS, CHEMICAL; QUANTUM THEORY; VIBRATION;

EID: 33645285567     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20374     Document Type: Article

References (35)

1. Herman, M.; Liévin, J.; Vander Auwera, J.; Campargue, A. In Advances in Chemical Physics 108; Prigogine, I.; Rice, S. A., Eds.; Wiley: New York, 1999, p. 1.
2. Cassam-Chenaï, P.; Liévin, J. Int J Quantum Chem 2003, 93, 245.
3. Sutcliffe, B. T. In Chemical Modelling, Applications and Theory, Hinchcliffe, A., Ed.; The Royal Society of Chemistry: Cambridge, UK, 2004, p. 1, vol. 3.
4. Gatti, F.; Lung, C.; Leforestier, C.; Chapuisat, X. J Chem Phys 1999, 111, 7236.
5. Viel, A.; Leforestier, C. J Chem Phys 2000, 112, 1212.
6. Light, J. C.; Carrington, T. Adv Chem Phys 2000, 114, 263.
7. Barone, V. J Chem Phys 2005, 122, 14108.
8. Barone, V.; Festa, G.; Grandi, A.; Rega, N.; Sanna, N. Chem Phys Lett 2004, 388, 279.
9. Chaban, G. M.; Jung, J. O.; Gerber, R. B. J Chem Phys 1999, 111, 1823.
10. Matsunaga, N.; Chaban, G. M.; Gerber, R. B. J Chem Phys 2002, 117, 3541.
11. Yu, H.-G. J Chem Phys 2004, 121, 6334.
12. Lee, H.-S.; Light, J. C. J Chem Phys 2004, 120, 4626.
13. Gohaud, N.; Begue, D.; Darrigan, C.; Pouchan, C. J Comp Chem 2005, 26, 743.
14. Dawes, R.; Carrington, T. J Chem Phys 2005, 122, 134101.
15. Cassam-Chenaï, P. J Quantum Spectrosc Radiat Transfer 2003, 82, 251.
16. Carney, G. D.; Sprandel, L. L.; Kern, C. W. In Advances in Chemical Physics, Prigogine, I.; Rice, S. A., Eds.; Wiley: New York, 1978, p. 305, vol. 37.
17. Gerber, R. B.; Ratner, M. A. Chem Phys Lett 1979, 68, 195.
18. Maessen, B.; Wolfsberg, M. J Phys 1985, 89, 3876.
19. Chen, C. L.; Maessen, B.; Wolfsberg, M. J Chem Phys 1985, 83, 1795.
20. Tennyson, J. Comp Phys Rep 1986, 4, 1.
21. Carter, S.; Handy, N. C. Comp Phys Rep 1986, 5, 15.
22. Bačić, Z.; Light, J. C. Annu Rev Phys Chem 1989, 40, 469.
23. Watson, J. K. G. Mol Phys 1968, 15, 479.
24. Siebert, R.; Fleurat-Lessard, P.; Schinke, R.; Bittererová, M.; Farantos, S. C. J Chem Phys 2002, 116, 9749. (EPAPS Document N E-JCPSA6-116-010221).
25. Partridge, H.; Schwenke, D. W. J Chem Phys 1997, 106, 4618. (EPAPS Document N E-JCPSA-106-4618).
26. Lee, T. J.; Martin, J. M. L.; Taylor, P. R. J Chem Phys 1995, 102, 254.
27. Halonen, L. J Chem Phys 1997, 106, 831.
28. Nikitin, A.; Champion, J. P.; Tyuterev, V. G.; Brown, L. R. J Mol Spectrosc 1997, 184, 120.
29. Gray, D. L.; Robiette, A. G. Mol Phys 1979, 37, 1901.
30. Cassam-Chenaï, P.; Pauzat, F.; Ellinger, Y. J Mol Struct (Theochem) 1995, 330, 167.
31. Burcl, R.; Carter, S.; Handy, N. C. Chem Phys Lett 2003, 373, 357.
32. Hylleraas, E. A.; Undheim, B. Z Phys 1930, 65, 759.
33. MacDonald, J. K. L. Phys Rev 1933, 43, 830.
34. Carter, S.; Shnider, H. M.; Bowman, J. M. J Phys Chem 1999, 110, 8417.
35. Roitberg, A. E.; Gerber, R. B.; Ratner, M. A. J Phys Chem 1997, B 101, 1700.