The Canonical Transformation Theory and its application to the Reaction Path Hamiltonian

Journal of Molecular Structure: THEOCHEM

Volumn 727, Issue 1-3 SPEC. ISS., 2005, Pages 21-27

  Giménez, Xavier ^a   Bofill, Josep Maria ^a  

^a UNIVERSITY OF BARCELONA   (Spain)

Author keywords

Canonical transformation theory; Hamilton Jacobi equation; Liouville equation; Reaction path; Reaction path Hamiltonian

Indexed keywords

EID: 23644458705     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2005.02.010     Document Type: Article

References (30)

1. E. Kraka Encyclopedia of Computational Chemistry P. von R. Schleyer 1998 Wiley New York 2437
2. K.A. Mitchell Phys. Rev. A 63 2001 042112
3. G.D. Billing, and K.V. Mikkelsen Advanced Molecular Dynamics and Chemical Kinetics 1997 Wiley New York
4. G.C. Schatz, and M.A. Ratner Quantum Mechanics in Chemistry 1993 Prentice-Hall New York
5. W.H. Miller, N.C. Handy, and J.E. Adams J. Chem. Phys. 72 1980 99
6. W.H. Miller J. Phys. Chem. 87 1983 3811
7. T. Carrington Jr., and W.H. Miller J. Chem. Phys. 81 1984 3942
8. G.D. Billing Mol. Phys. 89 1996 355
9. A. Koch, and G.D. Billing J. Chem. Phys. 107 1997 7242
10. C. Colletti, and G.D. Billing Phys. Chem. Chem. Phys. 1 1999 4141
11. N. Shida, P.F. Barbara, and J.E. Almlöf J. Chem. Phys. 91 1989 4061
12. S. Lee, and J.T. Hynes J. Chem. Phys. 88 1988 6853
13. Y.-Y. Chuang, and D.G. Truhlar J. Am. Chem. Soc. 121 1999 10157
14. K. Ohmiya, and S. Kato J. Chem. Phys. 119 2003 1601
15. G.A. Natanson Chem. Phys. Lett. 178 1991 49
16. T. Taketsugu, and M.S. Gordon J. Chem. Phys. 104 1996 2834
17. Y. Okuno J. Chem. Phys. 113 2000 3130
18. W.H. Miller, B.A. Ruf, and Y.T. Chang J. Chem. Phys. 89 1988 6298
19. J. González, X. Giménez, and J.M. Bofill J. Phys. Chem. A 105 2001 5022
20. J. González, X. Giménez, and J.M. Bofill J. Chem. Phys. 116 2002 8713
21. J. González, X. Giménez, and J.M. Bofill Theor. Chem. Acc. 112 2004 75
22. H. Goldstein Classical Mechanics 1950 Addison-Wesley Reading, MA pp. 237-314
23. W.H. Miller Adv. Chem. Phys. 25 1974 69
24. R. Courant, and D. Hilbert Methods in Mathematical Physics 1950 Wiley New York
25. K. Fukui Acc. Chem. Res. 14 1981 363
26. K. Müller, and L.D. Brown Theor. Chim. Acta 53 1979 75
27. V.I. Arnold Métodos Matemáticos de la Mecánica Clásica 1997 Mir Moscow (Spanish translation of the 1984 Russian edition)
28. J. González, X. Giménez, and J.M. Bofill Phys. Chem. Chem. Phys. 4 2002 2921
29. E.J. Heller J. Chem. Phys. 62 1975 1544
30. I. Horenko, B. Schmidt, and C. Schütte J. Chem. Phys. 117 2002 4643