Topological effects due to conical intersections: A model study of two interacting conical intersections

Journal of Chemical Physics

Volumn 111, Issue 21, 1999, Pages 9493-9497

  Baer, Michael ^a,b   Varandas, António J C ^a   Englman, Robert ^b  

^a UNIVERSITY OF COIMBRA   (Portugal)

^b SOREQ NUCLEAR RESEARCH CENTER   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000750231     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.480280     Document Type: Article

References (60)

1. H. A. Jahn and E. Teller, Proc. R. Soc. London, Ser. A 161, 220 (1937).
2. (a) H. C. Longuet-Higgins, U. Opik, M. H. L. Pryce, and R. A. Sack, Proc. R. Soc. London, Ser. A 244, 1 (1958);
3. (b) H. C. Longuet-Higgins, Adv. Spectrosc. 2, 429 (1961);
4. (c) M. S. Child and H. C. Longuet-Higgins, Philos. Trans. R. Soc. London, Ser. A 254, 259 (1961);
5. (d) G. Herzberg and H. C. Longuet-Higgins, Discuss. Faraday Soc. 35, 77 (1963);
6. (e) H. C. Longuet-Higgins, Proc. R. Soc. London, Ser. A 344, 147 (1975).
7. M. V. Berry, Proc. R. Soc. London, Ser. A 392, 45 (1984); Y. Aharonov, E. BenReuven, S. Popescu, and D. Rohrlich, Nucl. Phys. B 350, 818 (1990).
8. M. V. Berry, Proc. R. Soc. London, Ser. A 392, 45 (1984); Y. Aharonov, E. BenReuven, S. Popescu, and D. Rohrlich, Nucl. Phys. B 350, 818 (1990).
9. H. Koppel, W. Domcke, and L. S. Cederbaum, Adv. Chem. Phys. 57, 59 (1984); T. Pacher, L. S. Cederbaum, and H. Koppel, ibid. 84, 293 (1993); W. Domcke and G. Stock, ibid 100, 1 (1997).
10. H. Koppel, W. Domcke, and L. S. Cederbaum, Adv. Chem. Phys. 57, 59 (1984); T. Pacher, L. S. Cederbaum, and H. Koppel, ibid. 84, 293 (1993); W. Domcke and G. Stock, ibid 100, 1 (1997).
11. H. Koppel, W. Domcke, and L. S. Cederbaum, Adv. Chem. Phys. 57, 59 (1984); T. Pacher, L. S. Cederbaum, and H. Koppel, ibid. 84, 293 (1993); W. Domcke and G. Stock, ibid 100, 1 (1997).
12. B. H. Lengsfield and D. R. Yarkony, in State Selected and State-to-State Ion-Molecule Reaction Dynamics: Part 2, Theory, edited by M. Baer and C. Y. Ng (Wiley, New York, 1992), Vol. 82, p. 1; V. Sidis, ibid., p. 73; D. Yarkony, Rev. Mod. Phys. 68, 985 (1996); J. Phys. Chem. 100, 18612 (1996); A. Kuppermann, in Dynamics of Molecules and Chemical Reactions, edited by R. E. Wyatt and J. Z. H. Zhang (Marcel Dekker, New York, 1996), p. 411.
13. B. H. Lengsfield and D. R. Yarkony, in State Selected and State-to-State Ion-Molecule Reaction Dynamics: Part 2, Theory, edited by M. Baer and C. Y. Ng (Wiley, New York, 1992), Vol. 82, p. 1; V. Sidis, ibid., p. 73; D. Yarkony, Rev. Mod. Phys. 68, 985 (1996); J. Phys. Chem. 100, 18612 (1996); A. Kuppermann, in Dynamics of Molecules and Chemical Reactions, edited by R. E. Wyatt and J. Z. H. Zhang (Marcel Dekker, New York, 1996), p. 411.
14. B. H. Lengsfield and D. R. Yarkony, in State Selected and State-to-State Ion-Molecule Reaction Dynamics: Part 2, Theory, edited by M. Baer and C. Y. Ng (Wiley, New York, 1992), Vol. 82, p. 1; V. Sidis, ibid., p. 73; D. Yarkony, Rev. Mod. Phys. 68, 985 (1996); J. Phys. Chem. 100, 18612 (1996); A. Kuppermann, in Dynamics of Molecules and Chemical Reactions, edited by R. E. Wyatt and J. Z. H. Zhang (Marcel Dekker, New York, 1996), p. 411.
15. B. H. Lengsfield and D. R. Yarkony, in State Selected and State-to-State Ion-Molecule Reaction Dynamics: Part 2, Theory, edited by M. Baer and C. Y. Ng (Wiley, New York, 1992), Vol. 82, p. 1; V. Sidis, ibid., p. 73; D. Yarkony, Rev. Mod. Phys. 68, 985 (1996); J. Phys. Chem. 100, 18612 (1996); A. Kuppermann, in Dynamics of Molecules and Chemical Reactions, edited by R. E. Wyatt and J. Z. H. Zhang (Marcel Dekker, New York, 1996), p. 411.
16. B. H. Lengsfield and D. R. Yarkony, in State Selected and State-to-State Ion-Molecule Reaction Dynamics: Part 2, Theory, edited by M. Baer and C. Y. Ng (Wiley, New York, 1992), Vol. 82, p. 1; V. Sidis, ibid., p. 73; D. Yarkony, Rev. Mod. Phys. 68, 985 (1996); J. Phys. Chem. 100, 18612 (1996); A. Kuppermann, in Dynamics of Molecules and Chemical Reactions, edited by R. E. Wyatt and J. Z. H. Zhang (Marcel Dekker, New York, 1996), p. 411.
17. J. W. Zwanziger and E. R. Grant, J. Chem. Phys. 87, 2954 (1987); N. Markovic and G. D. Billing, ibid. 99, 2674 (1993); 100, 1089 (1994); B. Lepetit and A. Kuppermann, Chem. Phys. Lett. 166, 581 (1990); A. Kuppermann and Y.-S. M. Wu, ibid. 205, 577 (1993); Y.-S. M. Wu and A. Kuppermann, ibid. 235, 105 (1995); X. Wu, R. E. Wyatt, and M. D'mello, J. Chem. Phys. 101, 2953 (1994); R. G. Sadigov and D. R. Yarkony, ibid. 109, 20 (1998); J. Schon and H. Koppel, ibid. 103, 9292 (1995); D. Yarkony, ibid. 105, 10456 (1996); N. Matsunaga and D. Yarkony, ibid. 107, 7825 (1997); G. Chaban, M. S. Gordon, and D. Yarkony, J. Phys. Chem. A 101, 7953 (1997); S. Xantheas, S. T. Ebert, and K. Ruedenberg, J. Chem. Phys. 93, 7519 (1990); K. Ruedenberg and G. J. Atchity, ibid. 99, 3799 (1993); T. J. Martinez, Chem. Phys. Lett. 272, 139 (1997); A. J. Dobbyn and P. J. Knowles, Mol. Phys. 70, 825 (1990); G. D. Billing and A. Kuppermann, Chem. Phys. Lett. 294, 26 (1998).
18. J. W. Zwanziger and E. R. Grant, J. Chem. Phys. 87, 2954 (1987); N. Markovic and G. D. Billing, ibid. 99, 2674 (1993); 100, 1089 (1994); B. Lepetit and A. Kuppermann, Chem. Phys. Lett. 166, 581 (1990); A. Kuppermann and Y.-S. M. Wu, ibid. 205, 577 (1993); Y.-S. M. Wu and A. Kuppermann, ibid. 235, 105 (1995); X. Wu, R. E. Wyatt, and M. D'mello, J. Chem. Phys. 101, 2953 (1994); R. G. Sadigov and D. R. Yarkony, ibid. 109, 20 (1998); J. Schon and H. Koppel, ibid. 103, 9292 (1995); D. Yarkony, ibid. 105, 10456 (1996); N. Matsunaga and D. Yarkony, ibid. 107, 7825 (1997); G. Chaban, M. S. Gordon, and D. Yarkony, J. Phys. Chem. A 101, 7953 (1997); S. Xantheas, S. T. Ebert, and K. Ruedenberg, J. Chem. Phys. 93, 7519 (1990); K. Ruedenberg and G. J. Atchity, ibid. 99, 3799 (1993); T. J. Martinez, Chem. Phys. Lett. 272, 139 (1997); A. J. Dobbyn and P. J. Knowles, Mol. Phys. 70, 825 (1990); G. D. Billing and A. Kuppermann, Chem. Phys. Lett. 294, 26 (1998).
19. J. W. Zwanziger and E. R. Grant, J. Chem. Phys. 87, 2954 (1987); N. Markovic and G. D. Billing, ibid. 99, 2674 (1993); 100, 1089 (1994); B. Lepetit and A. Kuppermann, Chem. Phys. Lett. 166, 581 (1990); A. Kuppermann and Y.-S. M. Wu, ibid. 205, 577 (1993); Y.-S. M. Wu and A. Kuppermann, ibid. 235, 105 (1995); X. Wu, R. E. Wyatt, and M. D'mello, J. Chem. Phys. 101, 2953 (1994); R. G. Sadigov and D. R. Yarkony, ibid. 109, 20 (1998); J. Schon and H. Koppel, ibid. 103, 9292 (1995); D. Yarkony, ibid. 105, 10456 (1996); N. Matsunaga and D. Yarkony, ibid. 107, 7825 (1997); G. Chaban, M. S. Gordon, and D. Yarkony, J. Phys. Chem. A 101, 7953 (1997); S. Xantheas, S. T. Ebert, and K. Ruedenberg, J. Chem. Phys. 93, 7519 (1990); K. Ruedenberg and G. J. Atchity, ibid. 99, 3799 (1993); T. J. Martinez, Chem. Phys. Lett. 272, 139 (1997); A. J. Dobbyn and P. J. Knowles, Mol. Phys. 70, 825 (1990); G. D. Billing and A. Kuppermann, Chem. Phys. Lett. 294, 26 (1998).
20. J. W. Zwanziger and E. R. Grant, J. Chem. Phys. 87, 2954 (1987); N. Markovic and G. D. Billing, ibid. 99, 2674 (1993); 100, 1089 (1994); B. Lepetit and A. Kuppermann, Chem. Phys. Lett. 166, 581 (1990); A. Kuppermann and Y.-S. M. Wu, ibid. 205, 577 (1993); Y.-S. M. Wu and A. Kuppermann, ibid. 235, 105 (1995); X. Wu, R. E. Wyatt, and M. D'mello, J. Chem. Phys. 101, 2953 (1994); R. G. Sadigov and D. R. Yarkony, ibid. 109, 20 (1998); J. Schon and H. Koppel, ibid. 103, 9292 (1995); D. Yarkony, ibid. 105, 10456 (1996); N. Matsunaga and D. Yarkony, ibid. 107, 7825 (1997); G. Chaban, M. S. Gordon, and D. Yarkony, J. Phys. Chem. A 101, 7953 (1997); S. Xantheas, S. T. Ebert, and K. Ruedenberg, J. Chem. Phys. 93, 7519 (1990); K. Ruedenberg and G. J. Atchity, ibid. 99, 3799 (1993); T. J. Martinez, Chem. Phys. Lett. 272, 139 (1997); A. J. Dobbyn and P. J. Knowles, Mol. Phys. 70, 825 (1990); G. D. Billing and A. Kuppermann, Chem. Phys. Lett. 294, 26 (1998).
21. J. W. Zwanziger and E. R. Grant, J. Chem. Phys. 87, 2954 (1987); N. Markovic and G. D. Billing, ibid. 99, 2674 (1993); 100, 1089 (1994); B. Lepetit and A. Kuppermann, Chem. Phys. Lett. 166, 581 (1990); A. Kuppermann and Y.-S. M. Wu, ibid. 205, 577 (1993); Y.-S. M. Wu and A. Kuppermann, ibid. 235, 105 (1995); X. Wu, R. E. Wyatt, and M. D'mello, J. Chem. Phys. 101, 2953 (1994); R. G. Sadigov and D. R. Yarkony, ibid. 109, 20 (1998); J. Schon and H. Koppel, ibid. 103, 9292 (1995); D. Yarkony, ibid. 105, 10456 (1996); N. Matsunaga and D. Yarkony, ibid. 107, 7825 (1997); G. Chaban, M. S. Gordon, and D. Yarkony, J. Phys. Chem. A 101, 7953 (1997); S. Xantheas, S. T. Ebert, and K. Ruedenberg, J. Chem. Phys. 93, 7519 (1990); K. Ruedenberg and G. J. Atchity, ibid. 99, 3799 (1993); T. J. Martinez, Chem. Phys. Lett. 272, 139 (1997); A. J. Dobbyn and P. J. Knowles, Mol. Phys. 70, 825 (1990); G. D. Billing and A. Kuppermann, Chem. Phys. Lett. 294, 26 (1998).
22. J. W. Zwanziger and E. R. Grant, J. Chem. Phys. 87, 2954 (1987); N. Markovic and G. D. Billing, ibid. 99, 2674 (1993); 100, 1089 (1994); B. Lepetit and A. Kuppermann, Chem. Phys. Lett. 166, 581 (1990); A. Kuppermann and Y.-S. M. Wu, ibid. 205, 577 (1993); Y.-S. M. Wu and A. Kuppermann, ibid. 235, 105 (1995); X. Wu, R. E. Wyatt, and M. D'mello, J. Chem. Phys. 101, 2953 (1994); R. G. Sadigov and D. R. Yarkony, ibid. 109, 20 (1998); J. Schon and H. Koppel, ibid. 103, 9292 (1995); D. Yarkony, ibid. 105, 10456 (1996); N. Matsunaga and D. Yarkony, ibid. 107, 7825 (1997); G. Chaban, M. S. Gordon, and D. Yarkony, J. Phys. Chem. A 101, 7953 (1997); S. Xantheas, S. T. Ebert, and K. Ruedenberg, J. Chem. Phys. 93, 7519 (1990); K. Ruedenberg and G. J. Atchity, ibid. 99, 3799 (1993); T. J. Martinez, Chem. Phys. Lett. 272, 139 (1997); A. J. Dobbyn and P. J. Knowles, Mol. Phys. 70, 825 (1990); G. D. Billing and A. Kuppermann, Chem. Phys. Lett. 294, 26 (1998).
23. J. W. Zwanziger and E. R. Grant, J. Chem. Phys. 87, 2954 (1987); N. Markovic and G. D. Billing, ibid. 99, 2674 (1993); 100, 1089 (1994); B. Lepetit and A. Kuppermann, Chem. Phys. Lett. 166, 581 (1990); A. Kuppermann and Y.-S. M. Wu, ibid. 205, 577 (1993); Y.-S. M. Wu and A. Kuppermann, ibid. 235, 105 (1995); X. Wu, R. E. Wyatt, and M. D'mello, J. Chem. Phys. 101, 2953 (1994); R. G. Sadigov and D. R. Yarkony, ibid. 109, 20 (1998); J. Schon and H. Koppel, ibid. 103, 9292 (1995); D. Yarkony, ibid. 105, 10456 (1996); N. Matsunaga and D. Yarkony, ibid. 107, 7825 (1997); G. Chaban, M. S. Gordon, and D. Yarkony, J. Phys. Chem. A 101, 7953 (1997); S. Xantheas, S. T. Ebert, and K. Ruedenberg, J. Chem. Phys. 93, 7519 (1990); K. Ruedenberg and G. J. Atchity, ibid. 99, 3799 (1993); T. J. Martinez, Chem. Phys. Lett. 272, 139 (1997); A. J. Dobbyn and P. J. Knowles, Mol. Phys. 70, 825 (1990); G. D. Billing and A. Kuppermann, Chem. Phys. Lett. 294, 26 (1998).
24. J. W. Zwanziger and E. R. Grant, J. Chem. Phys. 87, 2954 (1987); N. Markovic and G. D. Billing, ibid. 99, 2674 (1993); 100, 1089 (1994); B. Lepetit and A. Kuppermann, Chem. Phys. Lett. 166, 581 (1990); A. Kuppermann and Y.-S. M. Wu, ibid. 205, 577 (1993); Y.-S. M. Wu and A. Kuppermann, ibid. 235, 105 (1995); X. Wu, R. E. Wyatt, and M. D'mello, J. Chem. Phys. 101, 2953 (1994); R. G. Sadigov and D. R. Yarkony, ibid. 109, 20 (1998); J. Schon and H. Koppel, ibid. 103, 9292 (1995); D. Yarkony, ibid. 105, 10456 (1996); N. Matsunaga and D. Yarkony, ibid. 107, 7825 (1997); G. Chaban, M. S. Gordon, and D. Yarkony, J. Phys. Chem. A 101, 7953 (1997); S. Xantheas, S. T. Ebert, and K. Ruedenberg, J. Chem. Phys. 93, 7519 (1990); K. Ruedenberg and G. J. Atchity, ibid. 99, 3799 (1993); T. J. Martinez, Chem. Phys. Lett. 272, 139 (1997); A. J. Dobbyn and P. J. Knowles, Mol. Phys. 70, 825 (1990); G. D. Billing and A. Kuppermann, Chem. Phys. Lett. 294, 26 (1998).
25. J. W. Zwanziger and E. R. Grant, J. Chem. Phys. 87, 2954 (1987); N. Markovic and G. D. Billing, ibid. 99, 2674 (1993); 100, 1089 (1994); B. Lepetit and A. Kuppermann, Chem. Phys. Lett. 166, 581 (1990); A. Kuppermann and Y.-S. M. Wu, ibid. 205, 577 (1993); Y.-S. M. Wu and A. Kuppermann, ibid. 235, 105 (1995); X. Wu, R. E. Wyatt, and M. D'mello, J. Chem. Phys. 101, 2953 (1994); R. G. Sadigov and D. R. Yarkony, ibid. 109, 20 (1998); J. Schon and H. Koppel, ibid. 103, 9292 (1995); D. Yarkony, ibid. 105, 10456 (1996); N. Matsunaga and D. Yarkony, ibid. 107, 7825 (1997); G. Chaban, M. S. Gordon, and D. Yarkony, J. Phys. Chem. A 101, 7953 (1997); S. Xantheas, S. T. Ebert, and K. Ruedenberg, J. Chem. Phys. 93, 7519 (1990); K. Ruedenberg and G. J. Atchity, ibid. 99, 3799 (1993); T. J. Martinez, Chem. Phys. Lett. 272, 139 (1997); A. J. Dobbyn and P. J. Knowles, Mol. Phys. 70, 825 (1990); G. D. Billing and A. Kuppermann, Chem. Phys. Lett. 294, 26 (1998).
26. J. W. Zwanziger and E. R. Grant, J. Chem. Phys. 87, 2954 (1987); N. Markovic and G. D. Billing, ibid. 99, 2674 (1993); 100, 1089 (1994); B. Lepetit and A. Kuppermann, Chem. Phys. Lett. 166, 581 (1990); A. Kuppermann and Y.-S. M. Wu, ibid. 205, 577 (1993); Y.-S. M. Wu and A. Kuppermann, ibid. 235, 105 (1995); X. Wu, R. E. Wyatt, and M. D'mello, J. Chem. Phys. 101, 2953 (1994); R. G. Sadigov and D. R. Yarkony, ibid. 109, 20 (1998); J. Schon and H. Koppel, ibid. 103, 9292 (1995); D. Yarkony, ibid. 105, 10456 (1996); N. Matsunaga and D. Yarkony, ibid. 107, 7825 (1997); G. Chaban, M. S. Gordon, and D. Yarkony, J. Phys. Chem. A 101, 7953 (1997); S. Xantheas, S. T. Ebert, and K. Ruedenberg, J. Chem. Phys. 93, 7519 (1990); K. Ruedenberg and G. J. Atchity, ibid. 99, 3799 (1993); T. J. Martinez, Chem. Phys. Lett. 272, 139 (1997); A. J. Dobbyn and P. J. Knowles, Mol. Phys. 70, 825 (1990); G. D. Billing and A. Kuppermann, Chem. Phys. Lett. 294, 26 (1998).
27. J. W. Zwanziger and E. R. Grant, J. Chem. Phys. 87, 2954 (1987); N. Markovic and G. D. Billing, ibid. 99, 2674 (1993); 100, 1089 (1994); B. Lepetit and A. Kuppermann, Chem. Phys. Lett. 166, 581 (1990); A. Kuppermann and Y.-S. M. Wu, ibid. 205, 577 (1993); Y.-S. M. Wu and A. Kuppermann, ibid. 235, 105 (1995); X. Wu, R. E. Wyatt, and M. D'mello, J. Chem. Phys. 101, 2953 (1994); R. G. Sadigov and D. R. Yarkony, ibid. 109, 20 (1998); J. Schon and H. Koppel, ibid. 103, 9292 (1995); D. Yarkony, ibid. 105, 10456 (1996); N. Matsunaga and D. Yarkony, ibid. 107, 7825 (1997); G. Chaban, M. S. Gordon, and D. Yarkony, J. Phys. Chem. A 101, 7953 (1997); S. Xantheas, S. T. Ebert, and K. Ruedenberg, J. Chem. Phys. 93, 7519 (1990); K. Ruedenberg and G. J. Atchity, ibid. 99, 3799 (1993); T. J. Martinez, Chem. Phys. Lett. 272, 139 (1997); A. J. Dobbyn and P. J. Knowles, Mol. Phys. 70, 825 (1990); G. D. Billing and A. Kuppermann, Chem. Phys. Lett. 294, 26 (1998).
28. J. W. Zwanziger and E. R. Grant, J. Chem. Phys. 87, 2954 (1987); N. Markovic and G. D. Billing, ibid. 99, 2674 (1993); 100, 1089 (1994); B. Lepetit and A. Kuppermann, Chem. Phys. Lett. 166, 581 (1990); A. Kuppermann and Y.-S. M. Wu, ibid. 205, 577 (1993); Y.-S. M. Wu and A. Kuppermann, ibid. 235, 105 (1995); X. Wu, R. E. Wyatt, and M. D'mello, J. Chem. Phys. 101, 2953 (1994); R. G. Sadigov and D. R. Yarkony, ibid. 109, 20 (1998); J. Schon and H. Koppel, ibid. 103, 9292 (1995); D. Yarkony, ibid. 105, 10456 (1996); N. Matsunaga and D. Yarkony, ibid. 107, 7825 (1997); G. Chaban, M. S. Gordon, and D. Yarkony, J. Phys. Chem. A 101, 7953 (1997); S. Xantheas, S. T. Ebert, and K. Ruedenberg, J. Chem. Phys. 93, 7519 (1990); K. Ruedenberg and G. J. Atchity, ibid. 99, 3799 (1993); T. J. Martinez, Chem. Phys. Lett. 272, 139 (1997); A. J. Dobbyn and P. J. Knowles, Mol. Phys. 70, 825 (1990); G. D. Billing and A. Kuppermann, Chem. Phys. Lett. 294, 26 (1998).
29. J. W. Zwanziger and E. R. Grant, J. Chem. Phys. 87, 2954 (1987); N. Markovic and G. D. Billing, ibid. 99, 2674 (1993); 100, 1089 (1994); B. Lepetit and A. Kuppermann, Chem. Phys. Lett. 166, 581 (1990); A. Kuppermann and Y.-S. M. Wu, ibid. 205, 577 (1993); Y.-S. M. Wu and A. Kuppermann, ibid. 235, 105 (1995); X. Wu, R. E. Wyatt, and M. D'mello, J. Chem. Phys. 101, 2953 (1994); R. G. Sadigov and D. R. Yarkony, ibid. 109, 20 (1998); J. Schon and H. Koppel, ibid. 103, 9292 (1995); D. Yarkony, ibid. 105, 10456 (1996); N. Matsunaga and D. Yarkony, ibid. 107, 7825 (1997); G. Chaban, M. S. Gordon, and D. Yarkony, J. Phys. Chem. A 101, 7953 (1997); S. Xantheas, S. T. Ebert, and K. Ruedenberg, J. Chem. Phys. 93, 7519 (1990); K. Ruedenberg and G. J. Atchity, ibid. 99, 3799 (1993); T. J. Martinez, Chem. Phys. Lett. 272, 139 (1997); A. J. Dobbyn and P. J. Knowles, Mol. Phys. 70, 825 (1990); G. D. Billing and A. Kuppermann, Chem. Phys. Lett. 294, 26 (1998).
30. J. W. Zwanziger and E. R. Grant, J. Chem. Phys. 87, 2954 (1987); N. Markovic and G. D. Billing, ibid. 99, 2674 (1993); 100, 1089 (1994); B. Lepetit and A. Kuppermann, Chem. Phys. Lett. 166, 581 (1990); A. Kuppermann and Y.-S. M. Wu, ibid. 205, 577 (1993); Y.-S. M. Wu and A. Kuppermann, ibid. 235, 105 (1995); X. Wu, R. E. Wyatt, and M. D'mello, J. Chem. Phys. 101, 2953 (1994); R. G. Sadigov and D. R. Yarkony, ibid. 109, 20 (1998); J. Schon and H. Koppel, ibid. 103, 9292 (1995); D. Yarkony, ibid. 105, 10456 (1996); N. Matsunaga and D. Yarkony, ibid. 107, 7825 (1997); G. Chaban, M. S. Gordon, and D. Yarkony, J. Phys. Chem. A 101, 7953 (1997); S. Xantheas, S. T. Ebert, and K. Ruedenberg, J. Chem. Phys. 93, 7519 (1990); K. Ruedenberg and G. J. Atchity, ibid. 99, 3799 (1993); T. J. Martinez, Chem. Phys. Lett. 272, 139 (1997); A. J. Dobbyn and P. J. Knowles, Mol. Phys. 70, 825 (1990); G. D. Billing and A. Kuppermann, Chem. Phys. Lett. 294, 26 (1998).
31. J. W. Zwanziger and E. R. Grant, J. Chem. Phys. 87, 2954 (1987); N. Markovic and G. D. Billing, ibid. 99, 2674 (1993); 100, 1089 (1994); B. Lepetit and A. Kuppermann, Chem. Phys. Lett. 166, 581 (1990); A. Kuppermann and Y.-S. M. Wu, ibid. 205, 577 (1993); Y.-S. M. Wu and A. Kuppermann, ibid. 235, 105 (1995); X. Wu, R. E. Wyatt, and M. D'mello, J. Chem. Phys. 101, 2953 (1994); R. G. Sadigov and D. R. Yarkony, ibid. 109, 20 (1998); J. Schon and H. Koppel, ibid. 103, 9292 (1995); D. Yarkony, ibid. 105, 10456 (1996); N. Matsunaga and D. Yarkony, ibid. 107, 7825 (1997); G. Chaban, M. S. Gordon, and D. Yarkony, J. Phys. Chem. A 101, 7953 (1997); S. Xantheas, S. T. Ebert, and K. Ruedenberg, J. Chem. Phys. 93, 7519 (1990); K. Ruedenberg and G. J. Atchity, ibid. 99, 3799 (1993); T. J. Martinez, Chem. Phys. Lett. 272, 139 (1997); A. J. Dobbyn and P. J. Knowles, Mol. Phys. 70, 825 (1990); G. D. Billing and A. Kuppermann, Chem. Phys. Lett. 294, 26 (1998).
32. J. W. Zwanziger and E. R. Grant, J. Chem. Phys. 87, 2954 (1987); N. Markovic and G. D. Billing, ibid. 99, 2674 (1993); 100, 1089 (1994); B. Lepetit and A. Kuppermann, Chem. Phys. Lett. 166, 581 (1990); A. Kuppermann and Y.-S. M. Wu, ibid. 205, 577 (1993); Y.-S. M. Wu and A. Kuppermann, ibid. 235, 105 (1995); X. Wu, R. E. Wyatt, and M. D'mello, J. Chem. Phys. 101, 2953 (1994); R. G. Sadigov and D. R. Yarkony, ibid. 109, 20 (1998); J. Schon and H. Koppel, ibid. 103, 9292 (1995); D. Yarkony, ibid. 105, 10456 (1996); N. Matsunaga and D. Yarkony, ibid. 107, 7825 (1997); G. Chaban, M. S. Gordon, and D. Yarkony, J. Phys. Chem. A 101, 7953 (1997); S. Xantheas, S. T. Ebert, and K. Ruedenberg, J. Chem. Phys. 93, 7519 (1990); K. Ruedenberg and G. J. Atchity, ibid. 99, 3799 (1993); T. J. Martinez, Chem. Phys. Lett. 272, 139 (1997); A. J. Dobbyn and P. J. Knowles, Mol. Phys. 70, 825 (1990); G. D. Billing and A. Kuppermann, Chem. Phys. Lett. 294, 26 (1998).
33. J. W. Zwanziger and E. R. Grant, J. Chem. Phys. 87, 2954 (1987); N. Markovic and G. D. Billing, ibid. 99, 2674 (1993); 100, 1089 (1994); B. Lepetit and A. Kuppermann, Chem. Phys. Lett. 166, 581 (1990); A. Kuppermann and Y.-S. M. Wu, ibid. 205, 577 (1993); Y.-S. M. Wu and A. Kuppermann, ibid. 235, 105 (1995); X. Wu, R. E. Wyatt, and M. D'mello, J. Chem. Phys. 101, 2953 (1994); R. G. Sadigov and D. R. Yarkony, ibid. 109, 20 (1998); J. Schon and H. Koppel, ibid. 103, 9292 (1995); D. Yarkony, ibid. 105, 10456 (1996); N. Matsunaga and D. Yarkony, ibid. 107, 7825 (1997); G. Chaban, M. S. Gordon, and D. Yarkony, J. Phys. Chem. A 101, 7953 (1997); S. Xantheas, S. T. Ebert, and K. Ruedenberg, J. Chem. Phys. 93, 7519 (1990); K. Ruedenberg and G. J. Atchity, ibid. 99, 3799 (1993); T. J. Martinez, Chem. Phys. Lett. 272, 139 (1997); A. J. Dobbyn and P. J. Knowles, Mol. Phys. 70, 825 (1990); G. D. Billing and A. Kuppermann, Chem. Phys. Lett. 294, 26 (1998).
34. M. Baer and R. Englman, Mol. Phys. 75, 293 (1992).
35. (a) R. Baer, D. Charutz, R. Kosloff, and M. Baer, J. Chem. Phys. 105, 9141 (1996);
36. (b) D. M. Charutz, R. Baer, and M. Baer, ibid. 265, 629 (1997);
37. (c) M. Baer, ibid. 107, 2694 (1997);
38. (d) 107, 10662 (1997);
39. (e) R. Englman and M. Baer, J. Phys.: Condens. Matter 11, 1059 (1999).
40. M. Baer, A. Yahalom, and R. Englman, J. Chem. Phys. 109, 6550 (1998).
41. A. J. C. Varandas, J. Tennyson, and J. N. Murrell, Chem. Phys. Lett. 61, 431 (1979); A. J. C. Varandas and H. G. Yu, ibid. 259, 336 (1996); J. Chem. Soc., Faraday Trans. 93, 819 (1997); A. J. C. Varandas, H. G. Yu, and Z. R. Xu, Mol. Phys. (in press).
42. A. J. C. Varandas, J. Tennyson, and J. N. Murrell, Chem. Phys. Lett. 61, 431 (1979); A. J. C. Varandas and H. G. Yu, ibid. 259, 336 (1996); J. Chem. Soc., Faraday Trans. 93, 819 (1997); A. J. C. Varandas, H. G. Yu, and Z. R. Xu, Mol. Phys. (in press).
43. A. J. C. Varandas, J. Tennyson, and J. N. Murrell, Chem. Phys. Lett. 61, 431 (1979); A. J. C. Varandas and H. G. Yu, ibid. 259, 336 (1996); J. Chem. Soc., Faraday Trans. 93, 819 (1997); A. J. C. Varandas, H. G. Yu, and Z. R. Xu, Mol. Phys. (in press).
44. A. J. C. Varandas, J. Tennyson, and J. N. Murrell, Chem. Phys. Lett. 61, 431 (1979); A. J. C. Varandas and H. G. Yu, ibid. 259, 336 (1996); J. Chem. Soc., Faraday Trans. 93, 819 (1997); A. J. C. Varandas, H. G. Yu, and Z. R. Xu, Mol. Phys. (in press).
45. T. Bitter and D. Dubbens, Phys. Rev. Lett. 59, 251 (1998); D. Suter, K. T. Mueller and A. Pines, ibid. 60, 1218 (1988).
46. T. Bitter and D. Dubbens, Phys. Rev. Lett. 59, 251 (1998); D. Suter, K. T. Mueller and A. Pines, ibid. 60, 1218 (1988).
47. (a) R. Englman, The John-Teller Effect in Molecules and Crystals (Wiley Interscience, London, 1972);
48. (b) ibid., Section 7.7 and references therein;
49. (c) D. L. Dexter, J. Chem. Phys. 21, 836 (1953);
50. (d) Phys. Rev. 126, 1962 (1962); T. Miyakawa and D. L. Dexter, Phys. Rev. B 1, 2961 (1970).
51. (d) Phys. Rev. 126, 1962 (1962); T. Miyakawa and D. L. Dexter, Phys. Rev. B 1, 2961 (1970).
52. (a) M. Baer, Chem. Phys. Lett. 35, 112 (1975);
53. (b) Z. H. Top and M. Baer, J. Chem. Phys. 66, 1363 (1977);
54. (c) M. Baer, Mol. Phys. 40, 1011 (1980);
55. (d) M. Baer, in Theory of Chemical Reaction Dynamics, edited by M. Baer (CRC, Boca Raton, 1985), Vol. II, pp. 243-244.
56. A. J. C. Varandas, A. I. Voronin, and P. J. Jimeno, Chem. Phys. 107, 10014 (1997).
57. F. Bernardi, A. Bottoni, M. Olivucci, M. A. Robb, and A. Venturini, J. Am. Chem. Soc. 115, 3322 (1993).
58. F. Bernardi, A. Bottoni, M. Olivucci, A. Venturini, and M. A. Robb, J. Chem. Soc., Faraday Trans. 90, 1617 (1994).
59. E. T. Seidel, R. S. Grev, and H. F. Schaefer III, J. Am. Chem. Soc. 114, 3643 (1992).
60. M. Baer, R. Englman, and A. J. C. Varandas, Mol. Phys. (in press). In this publication an extended version of this model is presented and the three-dimensional seam does not appear.