Quantum vs semiclassical dynamics approaches from highly symmetric to asymmetric reactions

Proceedings - The 2007 International Conference on Computational Science and its Applications, ICCSA 2007

Volumn , Issue , 2007, Pages 441-443

  Lago, Noelia Faginas ^a   Lagana A ^a   Larrañaga, Fermin Huarte ^b  

^a UNIVERSITY OF PERUGIA   (Italy)

^b UNIVERSITY OF BARCELONA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ASYMMETRIC REACTION; ASYMMETRIC SYSTEM; INITIAL VALUE REPRESENTATION; QUANTUM CALCULATION; REACTION PROBABILITY; SEMICLASSICAL DYNAMICS;

MACHINERY;

EID: 48049085195     PISSN: None     EISSN: None     Source Type: Conference Proceeding    
DOI: 10.1109/ICCSA.2007.62     Document Type: Conference Paper

References (10)

1. R. E. Wyatt and J. Z. H. Zhang, Dynamics of Molecules and Chemical Reactions, (Marcel Dekker, New York, 1996).
2. J. Z. H. Zhang, Theory and Application of Quantum Molecular Dynamics (World Scientific, Singapore, 1999).
3. R. P. Feynman and A. R. Hibbs, Quantum Mechanics and Path Integrals (McGraw-Hill, New York, 1965).
4. J. D. Doll, D. L. Freeman and T. L. Beck, Adv. Chem. Phys. 78, 61 (1994).
5. V. S. Filinov, Nucl. Phys. B 271, 717 (1986).
6. N. Makri and W. H. Miller, Chem. Phys. Lett. 139, 10 (1987).
7. J. V. Van Vleck, Proc. Natl. Acad. Sci. USA, 14, 178 (1982).
8. W. H. Miller, J. Chem. Phys. 53, 3578 (1970).
9. N. Metropolis, A. W. Rosenbluth, M. N. Rosenbluth, A. H. Teller and E. Teller, J. Chem. Phys. 21, 1087 (1953).
10. F. Huarte-Larraflaga and U. Manthe, J. Chem. Phys. 118, 8261 (2003).