128
M.C. Bacchus-Montabonel
a quantitative determination of charge transfer rate constants and our treatment enlightens the mechanism involved in the process.
6.5 Conclusion
The present results exhibit some interesting features of charge transfer processes
with atomic or molecular targets. Rate constants can be determined theoretically for
such processes. The charge transfer mechanism is driven mainly by non-adiabatic
interactions between the molecular states, and correlations between non-adiabatic
radial couplings and charge transfer cross sections may be pointed out. The process
is highly anisotropic, favoured in the linear approach toward the more electronegative atom.
Acknowledgements This work was granted access to the HPC resources of [CCRT/ CINES/
IDRIS] under the allocation i2012081566 made by GENCI [Grand Equipement National de Calcul Intensif]. The support of the COST Action CM0805 ‘Chemical Cosmos’ is gratefully acknowledged.
References
1. Nussbaumer H (1986) Astron Astrophys 155:205
2. Honvault P, Gargaud M, Bacchus-Montabonel MC, McCarroll R (1995) Astron Astrophys
302:931
3. Gargaud M, Bacchus-Montabonel MC, McCarroll R (1993) J Chem Phys 99:4495
4. Honvault P, Bacchus-Montabonel MC, Gargaud M, McCarroll R (1998) Chem Phys 238:401
5. Wakelam V et al (2012) Astrophys J Suppl Ser 199:21
6. Bene E, Vibók Á, Halász GJ, Bacchus-Montabonel MC (2008) Chem Phys Lett 455:159
7. Bene E, Martínez P, Halász GJ, Vibók Á, Bacchus-Montabonel MC (2009) Phys Rev A
80:012711
8. Teyssier D, Fossé D, Gerin M, Pety J, Abergel A, Roueff E (2004) Astron Astrophys 417:135
9. The UMIST database for Astrochemistry. http://www.udfa.net
10. Bacchus-Montabonel MC, Talbi D (2008) Chem Phys Lett 467:28
11. Chenel A, Mangaud E, Justum Y, Talbi D, Bacchus-Montabonel MC, Desouter-Lecomte M
(2010) J Phys B 43:245701
12. Bacchus-Montabonel MC, Tergiman YS (2010) Chem Phys Lett 497:18
13. Bacchus-Montabonel MC (1999) Phys Rev A 59:3569
14. Errea LF, Macías A, Méndez L, Riera A (1999) J Phys B 32:4065
15. Unterreiter E, Schweinzer J, Winter HP (1991) J Phys B 24:1003
16. Burns D, Greenwood JB, Bajajova KR, McCullough RW, Geddes J, Gilbody HB (1997) J Phys
B 30:1531
17. Gao H, Kwong VHS (2003) Phys Rev A 68:052704
18. Zare RN (1988) Angular momentum. World Scientific, New York
19. Shtermin PS, Vasyutinskii OS (2008) J Chem Phys 128:194314
20. Bacchus-Montabonel MC, Vaeck N, Lasorne B, Desouter-Lecomte M (2003) Chem Phys Lett
374:307
21. Bacchus-Montabonel MC (1987) Phys Rev A 36:1994
22. Bacchus-Montabonel MC, Courbin C, McCarroll R (1991) J Phys B 24:4409
M.C. Bacchus-Montabonel
a quantitative determination of charge transfer rate constants and our treatment enlightens the mechanism involved in the process.
6.5 Conclusion
The present results exhibit some interesting features of charge transfer processes
with atomic or molecular targets. Rate constants can be determined theoretically for
such processes. The charge transfer mechanism is driven mainly by non-adiabatic
interactions between the molecular states, and correlations between non-adiabatic
radial couplings and charge transfer cross sections may be pointed out. The process
is highly anisotropic, favoured in the linear approach toward the more electronegative atom.
Acknowledgements This work was granted access to the HPC resources of [CCRT/ CINES/
IDRIS] under the allocation i2012081566 made by GENCI [Grand Equipement National de Calcul Intensif]. The support of the COST Action CM0805 ‘Chemical Cosmos’ is gratefully acknowledged.
References
1. Nussbaumer H (1986) Astron Astrophys 155:205
2. Honvault P, Gargaud M, Bacchus-Montabonel MC, McCarroll R (1995) Astron Astrophys
302:931
3. Gargaud M, Bacchus-Montabonel MC, McCarroll R (1993) J Chem Phys 99:4495
4. Honvault P, Bacchus-Montabonel MC, Gargaud M, McCarroll R (1998) Chem Phys 238:401
5. Wakelam V et al (2012) Astrophys J Suppl Ser 199:21
6. Bene E, Vibók Á, Halász GJ, Bacchus-Montabonel MC (2008) Chem Phys Lett 455:159
7. Bene E, Martínez P, Halász GJ, Vibók Á, Bacchus-Montabonel MC (2009) Phys Rev A
80:012711
8. Teyssier D, Fossé D, Gerin M, Pety J, Abergel A, Roueff E (2004) Astron Astrophys 417:135
9. The UMIST database for Astrochemistry. http://www.udfa.net
10. Bacchus-Montabonel MC, Talbi D (2008) Chem Phys Lett 467:28
11. Chenel A, Mangaud E, Justum Y, Talbi D, Bacchus-Montabonel MC, Desouter-Lecomte M
(2010) J Phys B 43:245701
12. Bacchus-Montabonel MC, Tergiman YS (2010) Chem Phys Lett 497:18
13. Bacchus-Montabonel MC (1999) Phys Rev A 59:3569
14. Errea LF, Macías A, Méndez L, Riera A (1999) J Phys B 32:4065
15. Unterreiter E, Schweinzer J, Winter HP (1991) J Phys B 24:1003
16. Burns D, Greenwood JB, Bajajova KR, McCullough RW, Geddes J, Gilbody HB (1997) J Phys
B 30:1531
17. Gao H, Kwong VHS (2003) Phys Rev A 68:052704
18. Zare RN (1988) Angular momentum. World Scientific, New York
19. Shtermin PS, Vasyutinskii OS (2008) J Chem Phys 128:194314
20. Bacchus-Montabonel MC, Vaeck N, Lasorne B, Desouter-Lecomte M (2003) Chem Phys Lett
374:307
21. Bacchus-Montabonel MC (1987) Phys Rev A 36:1994
22. Bacchus-Montabonel MC, Courbin C, McCarroll R (1991) J Phys B 24:4409