On the description of potential energy surfaces exhibiting conical intersections: A compact representation of the energies and derivative couplings and locally diabatic bases for the HOH and OHH portions of the 11 A-21 A seam of conical intersection in water

Molecular Physics

Volumn 93, Issue 6, 1998, Pages 971-983

  Yarkony, David R ^a  

^a JOHNS HOPKINS UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001473680     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/002689798168673     Document Type: Article

References (27)

1. Che, D.-C., and Liu, K., 1995. J. chem. Phys., 103:5164
2. Hsu, Y.-T., and Liu, K., 1997. J. chem. Phys., 107:1664
3. Ho, T. S., and Rabitz, H., 1996. J. chem. Phys., 104:2584
4. Ho, T.-S., Hollebeek, T., Rabitz, H., Harding, L. B., and Schatz, G. C., 1996. J. chem. Phys., 105:10 472
5. Schatz, G. C., Papaioannou, L., Pederson, L., Harding, L. B., Hollebeek, T., Ho, T.-S., and Rabitz, H., 1998. J. chem. Phys., 107:2340
6. Schatz, G. C., Pederson, L. A., and Kuntz, P. J., 1998. Faraday Discuss., 108 in the press
7. Murrell, J., Carter, S., Mills, I. M., and Guest, M. F., 1980. Molec. Phys., 42:605
8. Durand, G., and Chapuisat, X., 1985. Chem. Phys., 96:381
9. Polak, R., Paidarova, I., and Kuntz, P. J., 1987. J. chem. Phys., 87:2863
10. Dobbyn, A. J., and Knowles, P. J., 1997. Molec. Phys., 91:1107
11. Roos, B. O., 1980. Int. J. Quantum Chem. Symp, 14:175
12. Roos, B. O., Taylor, P. R., and Siegbahn, P. E. M., 1980. Chem. Phys., 48:157
13. Siegbahn, P., Heiberg, A., Roos, B., and Levy, B., 1980. Physica Scripta, 21:323
14. Yarkony, D. R., 1997. J. phys. Chem. A, 101:4263
15. Mead, C. A., 1983. J. chem. Phys., 78:807
16. Lengsfield, B. H., and Yarkony, D. R., 1992. State-Selected and State to State Ion– Molecule Reaction Dynamics, Part 2, Theory Edited by:Baer, M., and Ng, C.-Y., 1New York:Wiley.
17. Shavitt, I., 1976. Modern Theoretical Chemistry, Vol. 3, Edited by:Schaefer, H. F., 189New York:Plenum Press.
18. Matsunaga, N., and Yarkony, D. R., 1998. Molec. Phys., 93:79
19. Ho, T.-S., and Rabitz, H., 1996. J. chem. Phys., 104:2584
20. Silverstone, H. J., and Sinanoglu, O., 1966. J. chem. Phys., 44:1899
21. Huber, K. P., and Herzberg, G., 1979. Molecular Spectra and Molecular Structure, Constants of Diatomic Molecules Vol. IV, New York:Van Nostrand Reinhold.
22. Yarkony, D. R., 1992. J. chem. Phys., 97:1838
23. Longuet-Higgins, H. C., 1961. Adv. Spectrosc., 2:429
24. Yarkony, D. R., 1998. Theoret. Chem. Accnts, 98:107
25. Atchity, G. J., Ruedenberg, K., and Nanayakkara, A., 1997. Theoret. Chem. Accnts, 96:195
26. Matsunaga, N., and Yarkony, D. R., 1997. J. chem. Phys., 107:7825
27. Chaban, G., Gordon, M. S., and Yarkony, D. R., 1997. J. phys. Chem, A, 101:7953