Application of generalized filter-diagonalization to extract instantaneous normal modes

Chemical Physics Letters

Volumn 252, Issue 3-4, 1996, Pages 173-180

  Pang, John W ^a   Neuhauser, Daniel ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0030580855     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/0009-2614(96)00153-4     Document Type: Article

References (15)

1. [1] B. Madan, T. Keyes and G. Seeley, J. Chem. Phys. 94 (1991) 6762.
2. [2] Y. Wan and R.M. Stratt, J. Chem. Phys. 100 (1994) 5123.
3. [3] M. Cho, G.R. Fleming, S. Saito, I. Ohmine and R.M. Stratt, J. Chem. Phys. 100 (1994) 6672.
4. [4] J. Gibart, J. Garnier and N. Go, J. Comput., Chem. 15 (1994) 820.
5. [5] T.C. Cheam, J. Mol. Struct. 295 (1993) 259.
6. [6] T. Simonson and D. Perahia, Biophys. J. 61 (1992) 410.
7. [7] T.C. Cheam, J. Mol. Struct. 274 (1992) 289.
8. [8] E.B. Wilson, J. Decius and P.C. Cross, Molecular vibrations-the theory of infrared and raman vibrational spectra (McGraw-Hill, New York, 1955).
9. [9] M.L. Klein, in: Structure and dynamics of molecular crystals in molecular-dynamics simulations of statistical mechanical system, ed. G. Ciccotti and W.G. Hoover (North-Holland, Amsterdam 1986).
10. [10] J.H. Dickey and A. Paskin, Phys. Rev. 188 (1969) 1407.
11. [11] R. Roy, B.G. Sumpter, G.A. Pfeffer, S.K. Gray and D.W. Noid, Phys. Rept. 205 (1991) 109.
12. [12] O.M. Berker and M. Karplus, Phys. Rev. Letters 70 (1993) 3514.
13. [13] M. Wall and D. Neuhauser, J. Chem. Phys. 102 (1995) 8011.
14. [14] M.P. Allen and D.J. Tildesley, Computer simulation of liquids (Clarendon Press, Oxford, 1987).
15. [15] G. Gardini and V. Schettino, Chem. Phys. 146 (1990) 147.