On the accuracy of reactive scattering calculations with absorbing potentials: A new implementation based on a generalized R-matrix propagation

Chemical Physics Letters

Volumn 291, Issue 3-4, 1998, Pages 346-350

  Huarte Larrañaga, Fermín ^a   Giménez, Xavier ^a   Aguilar, Antonio ^a   Baer, Michael ^b  

^a UNIVERSITY OF BARCELONA   (Spain)

^b Soreq NRC ^*  (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0032540767     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(98)00599-5     Document Type: Article

References (23)

1. 2 basis sets to calculate S-matrix elements. in: J.M. Bowman (Ed.), Advances in Molecular Vibrations and Collision Dynamics, Vol. IIA (JAI Press, Greenwich, CT, 1994) p. 85.
2. J.M. Bowman (Ed.), Advances in Molecular Vibrations and Collision Dynamics, Vols. IIA and IIB (JAI Press, Greenwich, CT, 1994).
3. Neuhauser D., Baer M. J. Chem. Phys. 90:1989;4351.
4. Neuhauser D., Baer M. J. Phys. Chem. 93:1989;2862.
5. Neuhauser D., Baer M. J. Chem. Phys. 91:1989;4651.
6. Gilibert M., Blasco R.M., González M., Giménez X., Aguilar A., Last I., Baer M. J. Phys. Chem. 101:1997;6821. and references therein.
7. Last I., Gilibert M., Baer M. J. Chem. Phys. 107:1997;1451. and references therein.
8. Manthe U., Seideman T., Miller W.H. J. Chem. Phys. 101:1994;4759. and references therein.
9. Hoffman D.K., Huang Y., Zhu W., Kouri D.J. J. Chem. Phys. 101:1994;1242.
10. Mandelstham V.A., Ravuri T.R., Taylor H.S. J. Chem. Phys. 101:1994;8792.
11. Jang H.W., Light J.C. J. Chem. Phys. 102:1995;3262.
12. Neuhauser D., Baer M., Kouri D.J. J. Chem. Phys. 93:1990;2499.
13. Baer M., Ng C.Y., Neuhauser D. Chem. Phys. Lett. 169:1990;534.
14. Stechel E.B., Walker R.B., Light J.C. J. Chem. Phys. 69:1978;3518.
15. Johnson B.R. J. Comput. Phys. 13:1973;445.
16. Manolopoulos D.E. J. Chem. Phys. 85:1986;6425.
17. F. Huarte-Larrañaga, X. Giménez, A. Aguilar, manuscript to be published.
18. Mrugala F., Secrest D. J. Chem. Phys. 78:1983;5954.
19. Light J.C., Walker R.B. J. Chem. Phys. 65:1976;4272.
20. Bondi D.K., Connor J.N.L., Manz J., Römelt J. Mol. Phys. 50:1983;467.
21. Nakamura H., Ohsaki A., Baer M. J. Phys. Chem. 90:1986;6176.
22. Light J.C., Altenberger-Siczek A. Chem. Phys. Lett. 30:1975;195.
23. Light J.C., Altenberger-Siczek A. J. Chem. Phys. 64:1976;1907.