Full dimensional ab initio dynamics calculations of electron capture processes of the H4+ ion

Journal of Physical Chemistry A

Volumn 104, Issue 33, 2000, Pages 7738-7743

  Tachikawa, Hiroto ^a  

^a HOKKAIDO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

GROUND STATE; HYDROGEN; POSITIVE IONS;

ELECTRON CAPTURE PROCESSES; FRANCK-CONDON (FC) REGION;

MOLECULAR DYNAMICS;

EID: 0034710416     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0005219     Document Type: Article

References (37)

1. Geballe, T. R.; Oka, T. Nature 1996, 384, 334.
2. Bawendi, M. G.; Rehfuss, B. D.; Oka, T. J. Chem. Phys. 1990, 93, 6200.
3. Carrington A.; West, Y. D.; McNab, I. R. J. Chem. Phys. 1993, 98, 1073.
4. Uy, D.; Gabrys, C. M.; Jagod, M. F.; Oka, T. J. Chem. Phys. 1994, 100, 6261.
5. Lie, G. C.; Frye, D. J. Chem. Phys. 1992, 96, 6784.
6. Henderson, J. R.; Tennyson, J.; Sutcliffe, B. T. J. Chem. Phys. 1993, 98, 7191.
7. Carter, S.; Meyer, W. J. Chem. Phys. 1994, 100, 2104.
8. Bramley, M. J.; Tromp, J. W.; Carrington, T.; Corey, G. C. J. Chem. Phys. 1994, 100, 6175.
9. Ignacio, E. W.; Yamabe, S. Chem. Phys. Lett. 1998, 287, 563.
10. Paul, W.; Lucke, B.; Schlemmer, S.; Gerlich, D. Int. J. Mass Spectrom. Ion Processes 1995, 149, 373.
11. Paul, W.; Schlemmer, S.; Lucke, B.; Gerlich, D. Chem. Phys. 1996, 209, 265.
12. Jungwirth, P.; Carsky, P.; Bally, T. Chem. Phys. Lett. 1992, 195, 371.
13. Alvarez-Collado, R. J.; Aguado, A.; Paniagua, M. J. Phys. Chem. 1995, 102, 5725.
14. (a) Pan, Z.; Borkman, R. F. J. Phys. Chem. 1995, 99, 916.
15. (b) Nelson, M. R.; Cobb, M. G.; Borkman, R. F. J. Phys. Chem. 1997, 101, 8932.
16. (a) Kirchner, N. J.; Gilbert, J. R.; Bowers, M. T. Chem. Phys. Lett. 1984, 106, 7.
17. (b) Kirchner, N. J.; Bowers, M. T. J. Chem. Phys. 1987, 86, 1301.
18. Borkman, R. F.; Cobb, M. J. Chem. Phys. 1981, 74, 2920.
19. Wright, L. R.; Borkman, R. F. J. Chem. Phys. 1982, 77, 1938.
20. Cardeline, B. H.; Eberhardt, W. H.; Borkman, R. F. J. Chem. Phys. 1986, 84, 3230.
21. Figureger, H.; Ketterle, W.; Walther, H. Z Phys. D At. Mol Clusters 1989, 13, 129.
22. Ketterle, W.; Figureger, H.; Walther, H. Z Phys. D At. Mol. Clusters 1989, 13, 139.
23. Karplus, M.; Porter, R. N.; Sharm, R. D. J. Chem. Phys. 1965, 43, 3259.
24. (a) Tachikawa, H. J. Chem. Phys. 1998, 108, 3966.
25. (b) Tachikawa, H. J. Phys. B 1999, 32, 1451.
26. (c) Tachikawa, H. J. Phys. Chem. 1995, 99, 225.
27. (d) For a review article, Tachikawa, H. Trends Phys. Chem. 1997, 6, 279.
28. (a) Tachikawa, H. J. Phys. Chem. A 1998, 102, 7065.
29. (b) Tachikawa, H.; Igarashi, M. J. Phys. Chem. A 1998, 102, 8648.
30. (c) Tachikawa, H. J. Phys. Chem. A 1997, 101, 7475.
31. (d) Tachikawa, H. J. Phys. Chem. A 1999, 103, 6873.
32. (e) Tachikawa, H. Phys. Chem. Chem. Phys. 1999, 1, 2675.
33. (f) Tachikawa, H. Phys. Chem. Chem. Phys. 1999, 1, 4925.
34. (g) Program code of the direct ab initio dynamics calculation was created by our group.
35. Ab initio MO calculation program, Gaussian 94: Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman; J. R.; Keith, T.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. Gaussian 94, Revision D.3; Gaussian, Inc.: Pittsburgh, PA, 1995.
36. Ceballos, A.; Garcia, E.; Rodriguez, A.; Lagana, A. Chem. Phys. Lett. 1999, 276.
37. Boothroyd, A.; Dove, J. E.; Keogh, W. J.; Martin, P. G.; Peterson, M. R. J. Chem. Phys. 1991, 95, 4331.