IR theory of weak H-bonds: Davydov coupling, Fermi resonances and direct relaxations. I. Basis equations within the linear response theory

Chemical Physics

Volumn 248, Issue 1, 1999, Pages 53-70

  Chamma, D ^a   Henri Rousseau, O ^a  

^a UNIVERSITÉ DE PERPIGNAN   (France)

Author keywords

Autocorrelation function; Davydov coupling; Direct relaxation; Fermi resonances; Infrared and Raman spectra; Linear response theory; Weak hydrogen bond

Indexed keywords

EID: 0033426137     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0301-0104(99)00235-9     Document Type: Article

References (28)

1. G. Hofacker, Y. Maréchal, M. Ratner, in: P. Schuster, G. Zundel, S. Sandorfi, The hydrogen bond theory, North Holland, Amsterdam, 1976, p. 297; see also S. Fisher, G. Hofacker, M. Ratner, J. Chem. Phys. 52 (1970) 1934.
2. G. Hofacker, Y. Maréchal, M. Ratner, in: P. Schuster, G. Zundel, S. Sandorfi, The hydrogen bond theory, North Holland, Amsterdam, 1976, p. 297; see also S. Fisher, G. Hofacker, M. Ratner, J. Chem. Phys. 52 (1970) 1934.
3. Y. Maréchal, A. Witkowski, J. Chem. Phys. 48 (1968) 3697; see also Y. Maréchal, Ph.D. Thesis, University of Grenoble, France (1968).
4. Y. Maréchal, A. Witkowski, J. Chem. Phys. 48 (1968) 3697; see also Y. Maréchal, Ph.D. Thesis, University of Grenoble, France (1968).
5. Witkowski A., Wójcik M. Chem. Phys. Lett. 20:1973;615.
6. Witkowski A., Wójcik M. Chem. Phys. Lett. 26:1974;327.
7. Witkowski A., Wójcik M. Chem. Phys. 21:1977;385.
8. Wójcik M. Int. J. Quantum Chem. 10:1976;747.
9. Flakus H. Chem. Phys. 50:1980;79.
10. Witkowski A., Wójcik M. Chem. Phys. 1:1973;9.
11. Wójcik M. Mol. Phys. 36:1978;1757.
12. Rösch N., Ratner M. J. Chem. Phys. 61:1974;3344.
13. Boulil B., Henri-Rousseau O., Blaise P. Chem. Phys. 126:1988;263.
14. Boulil B., Déjardin J.L., El-Ghandour N., Henri-Rousseau O. J. Mol. Struct. Theochem. 314:1994;83.
15. Ratajczak H., Yaremko A. Chem. Phys. Lett. 243:1995;348.
16. Bratos S. J. Chem. Phys. 63:1975;3499.
17. Robertson G., Yarwood J. J. Chem. Phys. 32:1978;267.
18. P. Blaise, O. Henri-Rousseau, A. Grandjean, Chem. Phys. 244 (1999) 405.
19. Henri-Rousseau O., Chamma D. Chem. Phys. 229:1998;37.
20. Chamma D., Henri-Rousseau O. Chem. Phys. 229:1998;51.
21. O. Henri-Rousseau, P. Blaise, in: S. Rice, I. Prigogine (Eds.), Adv. Chem. Phys., vol. 103, Wiley, New York, 1998, p. 1; see also O. Henri-Rousseau, P. Blaise, in: D. Hadži (Ed.), Theoretical treatments of hydrogen bonding, Wiley, New York, 1997, p. 165.
22. O. Henri-Rousseau, P. Blaise, in: S. Rice, I. Prigogine (Eds.), Adv. Chem. Phys., vol. 103, Wiley, New York, 1998, p. 1; see also O. Henri-Rousseau, P. Blaise, in: D. Hadži (Ed.), Theoretical treatments of hydrogen bonding, Wiley, New York, 1997, p. 165.
23. Flakus H. Acta Physica Pol. A53:1978;287.
24. Boulil B., Blaise P., Henri-Rousseau O. J. Mol. Struct. Theochem. 314:1994;101.
25. P. Blaise, O. Henri-Rousseau, Chem. Phys. 243 (1999) 229.
26. D. Chamma, O. Henri-Rousseau, Chem. Phys. 248 (1999) 91.
27. D. Chamma, O. Henri-Rousseau, Chem. Phys. 248 (1999) 71.
28. D. Chamma, Comp. Phys. Comm., to be published.