The multistate multimode vibronically coupled nuclear dynamics of monofluorobenzene radical cation using a parallelized TDDVR approach

Chemical Physics Letters

Volumn 496, Issue 4-6, 2010, Pages 341-346

  Sardar, Subhankar ^a   Puzari, Panchanan ^b   Adhikari, Satrajit ^a  

^a DEPARTMENT OF MATERIALS SCIENCE   (India)

^b TEZPUR UNIVERSITY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

IONIZATION; MOLECULAR DYNAMICS; PHOTOELECTRON SPECTROSCOPY;

CONICAL INTERSECTION; DYNAMICAL PHENOMENA; ELECTRONICALLY EXCITED STATE; MASS ANALYZED THRESHOLD IONIZATION; MOLECULAR SYSTEMS; MULTICONFIGURATION TIME-DEPENDENT HARTREE METHOD; PHOTO-INDUCED RYDBERG IONIZATIONS; TIME-DEPENDENT DISCRETE VARIABLE REPRESENTATIONS;

PHOTOIONIZATION;

EID: 77957197444     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2010.07.038     Document Type: Article

References (35)

1. G. Herzberg, H.C. Longuet-Higgins, Discuss. Faraday Soc. 35 (1963) 77.
2. D.R. Yarkony, Rev. Mod. Phys. 68 (1996) 985.
3. H. Köppel, W. Domcke, L.S. Cederbaum, Adv. Chem. Phys. 57 (1984) 59.
4. M. Baer, R. Englman, Chem. Phys. Lett. 265 (1996) 105.
5. M. Baer.J. Chem. Phys. 107 (1997) 10662.
6. M. Baer, S.H. Lin. A. Alijah, S. Adhikari, G.D. Billing, Phys. Rev. A 62 (2000) 032506.
7. M. Baer, Beyond Born-Oppenheimer: Electronic Nonadiabatic Coupling Terms and Conical Intersections, Wiley-Interscience, Hoboken, 2006.
8. S. Adhikari, G.D. Billing, Adv. Chem. Phys. 124 (2002) 143.
9. G. Schatz, M.A. Ratner, Quantum Mechanics in Chemistry, Prentice Hall, Englewood Cliffs, NJ, 1993.
10. E.J. Heller, J. Chem. Phys. 62 (1975) 1544.
11. S.Y. Lee, Chem. Phys. 108 (1986) 451.
12. S.Y. Ue, E.J. Heller, J. Chem. Phys. 76 (1982) 3035.
13. H.-D. Meyer, Chem. Phys. 61 (1981) 365.
14. S. Adhikari, G.D. Billing, J. Chem. Phys. 113 (2000) 1409.
15. G.D. Billing, S. Adhikari, Chem. Phys. Lett. 321 (2000) 197.
16. B. Barkakaty, S. Adhikari, J. Chem. Phys. 118 (2003) 5302.
17. P. Puzari, S. Adhikari, Int. J. Quant. Chem. 98 (2004) 434.
18. P. Puzari, B. Sarkar, S. Adhikari, Int. J. Quant. Chem. 105 (2005) 209.
19. P. Puzari, R.S. Swathi, B. Sarkar, S. Adhikari. J. Chem. Phys. 123 (2005) 134317.
20. P. Puzari. B. Sarkar, S. Adhikari. J. Chem. Phys. 125 (2006) 194316.
21. S. Sardar, A.K. Paul, P. Mondal, B. Sarkar, S. Adhikari, Phys. Chem. Chem. Phys. 10 (2008) 6388.
22. S. Sardar, A.K. Paul, R. Sharma, S. Adhikari. J. Chem. Phys. 130 (2009) 144302.
23. S. Sardar, A.K. Paul. R. Sharma, S. Adhikari, Int. J. Quant. Chem. doi:10.1002/ qua.22578.
24. H.-D. Meyer, U. Manthe. L.S. Cederbaum, Chem. Phys. Lett. 165 (1990) 73.
25. H.-D. Meyer, F. Gatti, G.A. Worth, Multidimensional Quantum Dynamics: MCTDH Theory and Applications, Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, 2009.
26. D.J. Tannor, A. Besprozvannaya, C.J. Williams.J. Chem. Phys. 96 (1992) 2998.
27. D.J. Kouri, X. Ma, W. Zhu, B.M. Petit, D.K. Hoffman, J. Phys. Chem. 96 (1992) 9622.
28. E. Sim, N. Makri, J. Chem. Phys. 102 (1995) 5616.
29. G. Bieri, L. Asbrink, W. von Niessen, J. Elecron. Spectrosc. Relat. Phenom. 23 (1981)281.
30. C.H. Kwon, H.L. Kim, M.S. Kim, J. Chem. Phys. 116 (2002) 10361.
31. R. Anand. J.E. LeClaire, P.M. Johnson. J. Phys. Chem. A 1999 (1999) 2618.
32. I. B̂ldea, J. Franz, H. Köppel, Chem. Phys. 329 (2006) 65.
33. I. Bâldea, J. Franz, H. Köppel, J. Mol. Struct. 838 (2007) 94.
34. E. Gindensperger. I. BâldeaJ. Franz, H. Koppel, Chem. Phys. 338 (2007) 207.
35. V. Engel, Chem. Phys. Lett. 189 (1992) 76.