Rotational and alignment effects in a wave packet calculation for the Cl + H2 reaction

International Journal of Quantum Chemistry

Volumn 99, Issue 5 SPEC. ISS., 2004, Pages 577-584

  Skouteris, Dimitris ^a   Laganà, Antonio ^a   Capecchi, Gabriella ^b   Werner, Hans Joachim ^b  

^a UNIVERSITY OF PERUGIA   (Italy)

^b UNIVERSITY OF STUTTGART   (Germany)

Author keywords

Alignment; Probability; Wave packet

Indexed keywords

CALCULATIONS; CHLORINE; ELECTRONIC STRUCTURE; FUNCTIONS; GEOMETRY; HYDROGEN; KINETIC ENERGY; MATHEMATICAL OPERATORS; MATRIX ALGEBRA; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; PROBABILITY; WAVE EQUATIONS;

ALIGNMENT EFFECTS; PARITY BLOCKS; ROTATIONAL EFFECTS; WAVE PACKETS;

QUANTUM THEORY;

EID: 4544240368     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10857     Document Type: Conference Paper

References (15)

1. Balakrishnan, N.; Kalyanaraman, C.; Sathyamurthy, N. Phys Rep 1997, 280, 79.
2. Gray, S. K.; Balint-Kurti, G. G. J Chem Phys 1998, 108, 950.
3. Althorpe, S. C. J Chem Phys 2001, 114, 1601.
4. Balucani, N.; Cartechini, L.; Casavecchia, P.; Volpi, G. G.; Aoiz, F. J.; Bañares, L.; Menéndez, M.; Bian, W.; Werner, H.-J. Chem Phys Lett 2000, 328, 500.
5. Aoiz, F. J.; Bañares, L.; Castillo, J. F.; Menéndez, M.; Skouteris, D.; Werner, H.-J. J Chem Phys 2001, 115, 2074.
6. Skouteris, D.; Manolopoulos, D. E.; Bian, W.; Werner, H.-J.; Lai, L.-H.; Liu, K. Science 1999, 286, 1713.
7. Skouteris, D.; Werner, H.-J.; Aoiz, F. J.; Bañares, L.; Castillo, J.; Menéndez, M.; Balucani, N.; Cartechini, L.; Casavecchia, P. J Chem Phys 2001, 114, 10662.
8. Yang, B.-H.; Gao, H.-T.; Han, K.-L.; Zhang, J. Z. H. J Chem Phys 2000, 113, 1434.
9. Bian, W.; Werner, H.-J. J Chem Phys 2000, 112, 220.
10. Capecchi, G.; Werner, H.-J. (unpublished). Available at www.theochem.uni-stuttgart.de/~werner/h2cl/h2cl.html.
11. Mandelshtam, V. A.; Taylor, H. S. J Chem Phys 1995, 102, 7390.
12. Mandelshtam, V. A.; Taylor, H. S. J Chem Phys 1995, 103, 2903.
13. Skouteris, D.; Laganá, A.; Capecchi, G.; Werner, H.-J. Int J Quantum Chem 2004, 96, 562.
14. Meijer, A. J. H. M.; Goldfield, E. M.; Gray, S. K.; Balint-Kurti, G. G. Chem Phys Lett 1998, 293, 270.
15. Balint-Kurti, G. G. In Laganà, A.; Riganelli, A., Eds. Lecture Notes in Chemistry vol. 75; Springer-Verlag: Berlin, 2000, p 74.