The Self-Consistent-Field Approach to Polyatomic Vibrations

Accounts of Chemical Research

Volumn 19, Issue 7, 1986, Pages 202-208

  Bowman, Joel M ^a  

^a ILLINOIS INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001731833     PISSN: 00014842     EISSN: 15204898     Source Type: Journal    
DOI: 10.1021/ar00127a002     Document Type: Article

References (28)

1. Wilson, E. B., Jr.; Decius, J. C., Cross, P. C. Molecular Vibrations; McGraw-Hill: New York, 1955.
2. Herzberg, G. Infrared and Raman Spectra; Van Nostrand Reinhold: New York, 1945.
3. McQuarrie, D. A. Statistical Thermodynamics; Harper and Row: New York, 1973.
4. Maradudin, A. A.; Montroll, E. W.; Weiss, G. H.; Ipatova, I. P. Theory of Lattice Dynamics in the Harmonic Approximation, 2nd ed.; Academic: New York, 1971.
5. Benedek, G. In Dynamics of Gas-Surface Interaction; Benedek, G., Valbusa, U., Eds.; Springer-Verlag: Berlin, 1982.
6. Painter, P. C.; Coleman, M. M.; Koenig, J. L. The Theory of Vibrational Spectroscopy and its Application to Polymeric Materials; Wiley: New York, 1982.
7. McCammon, J. A.; Karplus, M. Acc. Chem. Res. 1983, 16, 187.
8. Johnston, H. S. Gas Phase Reaction Rate Theory; Ronald: New York, 1966.
9. Dubai, H.-R.; Crim, F. F. J. Chem. Phys. 1985, 83, 3863.
10. Carney, G. C.; Sprandel, L. L.; Kern, C. W. Adv. Chem. Phys. 1978, 37, 305.
11. Bowman, J. M. J. Chem. Phys. 1978, 68, 608.
12. Bowman, J. M.; Christoffel, K. M.; Tobin, F. L. J. Phys. Chem. 1979, 83, 905.
13. Tobin, F. L.; Bowman, J. M. Chem. Phys. 1980, 47, 151.
14. Christoffel, K. M.; Bowman, J. M. Chem. Phys. Lett. 1982, 85, 220. (15) Hartree, D. R. Proc. Cambridge Philos. Soc. 1928, 24, 111.
15. See, for example: Truhlar, D. G. J. Comp. Phys. 1972 10 123
16. See, for example; Blatt, J. M. J. Comp. Phys. 1967, 1, 382.
17. Romanowski, H.; Bowman, J. M. Chem. Phys. Lett. 1984, 110, 235. (19) Roothan, C. C. J. Rev. Mod. Phys. 1951, 23, 69.
18. Romanowski, H.; Bowman, J. M. Polymode (QCPE 496) QCPE Bull. 1985,5, 64. This program is restricted to quartic force fields, which are user-supplied.
19. Thompson, T. C.; Truhlar, D. G. Chem. Phys. Lett. 1980, 75, 87.
20. See, for example: Wahl, A. C.; Das, G. In Modern Theoretical Chemistry; Schaefer, H. F., III, Ed.; Plenum: New York, 1977, Vol. 3.
21. For a review, see: Ratner, M. A.; Gerber, R. B. J. Phys. Chem. 1986, 90, 20. (24) Farrelly, D.; Hedges, R. M.; Reinhardt, W. P. Chem. Phys. Lett. 1983, 96, 599.
22. Farrelly, D. J. Chem. Phys., to be published.
23. Christoffel, K. M.; Bowman, J. M., unpublished.
24. Thompson, T. C.; Truhlar, D. G. J. Chem. Phys. 1982, 77, 3031.
25. Garrett, B. C.; Truhlar, D. G. Chem. Phys. Lett. 1982, 92, 64. (29) Bartlett, R. J.; Shavitt, I.; Purvis, G. D., III J. Chem. Phys. 1978, 71, 281.
26. Romanowski, H.; Bowman, J. M.; Harding, L. B. J. Chem. Phys. 82, 4155 (1985).
27. Christoffel, K. M.; Bowman, J. M. J. Chem. Phys. 1981, 74, 5057.
28. See, for example: Townes, C. H.; Schalow, A. L.;Microwave Spectroscopy; McGraw-Hill: New York, 1955; Chapter 12.