Applying the vibronic coupling model Hamiltonian to the photoelectron spectrum of cyclobutadiene

Chemical Physics

Volumn 329, Issue 1-3, 2006, Pages 99-108

  Saddique, S ^a   Worth, G A ^a  

^a UNIVERSITY OF BIRMINGHAM   (United Kingdom)

Author keywords

Cyclobutadiene photoelectron spectrum; Vibronic coupling; Wavepacket dynamics

Indexed keywords

EID: 33749523542     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2006.06.040     Document Type: Article

References (37)

1. Nakamura K., Osamura Y., and Iwata S. Chem. Phys. 136 (1989) 67
2. Roeselová M., Bally T., Jungwirth P., and Čársky P. Chem. Phys. Lett. 234 (1995) 3295
3. Metropolous A., and Chiu Y.-N. J. Mol. Struct. (Theochem.) 365 (1996) 119
4. Levchenko S.V., and Krylov A. J. Chem. Phys. 120 (2004) 175
5. Kohn D.W., and Chen P. J. Am. Chem. Soc. 115 (1993) 2844
6. Bersuker I.B. Chem. Rev. 101 (2001) 1067
7. Köppel H., Domcke W., and Cederbaum L.S. Adv. Chem. Phys. 57 (1984) 59
8. Worth G.A., and Cederbaum L.S. Ann. Rev. Phys. Chem. 55 (2004) 127
9. Bernardi F., Olivucci M., and Robb M.A. Chem. Soc. Rev. 25 (1996) 321
10. Klessinger M. Angew. Chem. 107 (1995) 597
11. In: Domcke W., Yarkony D.R., and Köppel H. (Eds). Conical Intersections: Electronic Structure, Dynamics and Spectroscopy (2004), World Scientific, Singapore
12. Yarkony D.R. Rev. Mod. Phys. 68 (1996) 985
13. Cederbaum L.S., Domcke W., Köppel H., and von Niessen W. Chem. Phys. 26 (1977) 169
14. Cattarius C., Worth G.A., Meyer H.-D., and Cederbaum L.S. J. Chem. Phys. 115 (2001) 2088
15. Döscher M., and Köppel H. Chem. Phys. 225 (1997) 93
16. Mahapatra S., Worth G.A., Meyer H.-D., Cederbaum L.S., and Könppel H. J. Phys. Chem. A 105 (2001) 5567
17. Trofimov A.B., Köppel H., and Schirmer J. J. Chem. Phys. 109 (1998) 1025
18. Raab A., Worth G., Meyer H.-D., and Cederbaum L.S. J. Chem. Phys. 110 (1999) 936
19. In: Kulander K.C. (Ed). Time-dependent Methods for Quantum Dynamics (1991), Elsevier, Amsterdam
20. Kosloff R. J. Phys. Chem. 92 (1988) 2087
21. In: Cerjan C. (Ed). Numerical Grid Methods and their Application to Schrödinger's Equation (1993), Kluwer Academic Publishers., Dordrecht
22. Meyer H.-D., Manthe U., and Cederbaum L.S. Chem. Phys. Lett. 165 (1990) 73
23. Manthe U., Meyer H.-D., and Cederbaum L.S. J. Chem. Phys. 97 (1992) 3199
24. Beck M.H., Jäckle A., Worth G.A., and Meyer H.-D. Phys. Rep. 324 (2000) 1
25. Baer M. Chem. Phys. 259 (2000) 123
26. Markmann A., Worth G.A., and Cederbaum L.S. J. Chem. Phys. 122 (2005) 144320
27. C. Cattarius, A. Markmann, G.A. Worth, The VCHAM program, see http://www.pci.uni-heidelberg.de/tc/usr/mctdh/ (2005).
28. Engel V. Chem. Phys. Lett. 189 (1992) 76
29. Manthe U., Meyer H.-D., and Cederbaum L.S. J. Chem. Phys. 97 (1992) 9062
30. G.A. Worth, M.H. Beck, A. Jäckle, H.-D. Meyer, The MCTDH Package, Version 8.3, see http://www.pci.uni-heidelberg.de/tc/usr/mctdh/, 2004.
31. Light J.C., Hamilton I.P., and Lill J.V. J. Chem. Phys. 82 (1985) 1400
32. Meyer H.-D., and Worth G.A. Theor. Chem. Acc. 109 (2003) 251 feature article
33. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, Jr., K.N. Kudin, J.C. Burant, J.M. Millam, R.E. Stratmann, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, S. Iyengar, G.A. Petersson, M. Ehara, K. Toyota, H. Nakatsuji, C. Adamo, J. Jaramillo, R. Cammi, C. Pomelli, J. Ochterski, P.Y. Ayala, K. Morokuma, P. Salvador, J.J. Dannenberg, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, J.A. Pople, GAUSSIAN 03, 2003.
34. Kosloff R., and Tal-Ezer H. Chem. Phys. Lett. 127 (1986) 223
35. Kreile J., Münzel N., Schweig A., and Specht H. Chem. Phys. Lett. 124 (1986) 140
36. Arnold B., and Michl J. J. Phys. Chem. 97 (1993) 13348
37. Meier G. Angew. Chem. 100 (1988) 317