Long-range interaction in some simple open-shell systems, including rare-gas sulfides: Features of post-adiabatic potentials and couplings

Journal of Physical Chemistry A

Volumn 108, Issue 41, 2004, Pages 8731-8742

  Sevryuk, Mikhail B ^a   Rusin, Lev Yu ^a   Cavalli, Simonetta ^b   Aquilanti, Vincenzo ^b  

^a SEMENOV INSTITUTE OF CHEMICAL PHYSICS   (Russian Federation)

^b UNIVERSITY OF PERUGIA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ATMOSPHERIC CHEMISTRY; CHLORINE; DEGREES OF FREEDOM (MECHANICS); DIFFERENTIAL EQUATIONS; FLUORINE; HAMILTONIANS; ITERATIVE METHODS; MATHEMATICAL MODELS; MATRIX ALGEBRA; PERTURBATION TECHNIQUES; QUANTUM THEORY; VAN DER WAALS FORCES; VECTORS;

IDENTITY MATRIX; MOLECULAR SYSTEMS; NONADIABATIC COUPLING; OPEN SHELL SYSTEMS;

INERT GASES;

EID: 7044247844     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp040099m     Document Type: Article

References (83)

1. Born, M.; Oppenheimer, R. Ann. Phys. 1927, 84, 457-484.
2. Smith, F. T. Phys. Rev. 1969, 179, 111-123. Baer, M. Chem. Phys. Lett. 1975, 55, 112-118. Baer, M. Chem. Phys. 1976, 75, 49-57. Baer, M. Mol. Phys. 1980, 40, 1011 -1013. Delos, J. B.; Thorson, W. R. J. Chem. Phys. 1979, 70, 1774-3790.
3. Smith, F. T. Phys. Rev. 1969, 179, 111-123. Baer, M. Chem. Phys. Lett. 1975, 55, 112-118. Baer, M. Chem. Phys. 1976, 75, 49-57. Baer, M. Mol. Phys. 1980, 40, 1011 -1013. Delos, J. B.; Thorson, W. R. J. Chem. Phys. 1979, 70, 1774-3790.
4. Smith, F. T. Phys. Rev. 1969, 179, 111-123. Baer, M. Chem. Phys. Lett. 1975, 55, 112-118. Baer, M. Chem. Phys. 1976, 75, 49-57. Baer, M. Mol. Phys. 1980, 40, 1011 -1013. Delos, J. B.; Thorson, W. R. J. Chem. Phys. 1979, 70, 1774-3790.
5. Smith, F. T. Phys. Rev. 1969, 179, 111-123. Baer, M. Chem. Phys. Lett. 1975, 55, 112-118. Baer, M. Chem. Phys. 1976, 75, 49-57. Baer, M. Mol. Phys. 1980, 40, 1011 -1013. Delos, J. B.; Thorson, W. R. J. Chem. Phys. 1979, 70, 1774-3790.
6. Smith, F. T. Phys. Rev. 1969, 179, 111-123. Baer, M. Chem. Phys. Lett. 1975, 55, 112-118. Baer, M. Chem. Phys. 1976, 75, 49-57. Baer, M. Mol. Phys. 1980, 40, 1011 -1013. Delos, J. B.; Thorson, W. R. J. Chem. Phys. 1979, 70, 1774-3790.
7. Aquilanti, V.; Grossi, G.; Laganà, A. Chem. Phys. Lett. 1982, 93, 174-178.
8. Aquilanti, V.; Cavalli, S.; Sevryuk, M. B. J. Math. Phys. 1994, 35, 536-559.
9. Aquilanti, V.; Cavalli, S.; Rusin, L. Yu.; Sevryuk, M. B. Theor. Chim. Acta 1995, 90, 225-256.
10. Baer, M. Phys. Rep. 2002, 358, 75-142 and references therein. Baer, M. Adv. Chem. Phys. 2002, 124, 39-142 and references therein. Kuppermann, A.; Abrol, R. Adv. Chem. Phys. 2002, 124, 283-322 and references therein.
11. Baer, M. Phys. Rep. 2002, 358, 75-142 and references therein. Baer, M. Adv. Chem. Phys. 2002, 124, 39-142 and references therein. Kuppermann, A.; Abrol, R. Adv. Chem. Phys. 2002, 124, 283-322 and references therein.
12. Baer, M. Phys. Rep. 2002, 358, 75-142 and references therein. Baer, M. Adv. Chem. Phys. 2002, 124, 39-142 and references therein. Kuppermann, A.; Abrol, R. Adv. Chem. Phys. 2002, 124, 283-322 and references therein.
13. Adhikari, S.; Billing, G. D. Adv. Chem. Phys. 2002, 124, 143196 and references therein.
14. Klar, H.; Fano, U. Phys. Rev. Lett. 1976, 37, 1132-1134.
15. Klar, H. Phys. Rev. A 1977, 15, 1452-1458.
16. Klar, H.; Klar, M. Phys. Rev. A 1978, 17, 1007-1010.
17. Clark, W.; Greene, C. H.; Miecznik, G. Phys. Rev. A 1996, 53, 2248-2261.
18. Clark, W.; Greene, C. H. Rev. Mod. Phys. 1999, 71, 821-833.
19. Rusin, L. Yu.; Sevryuk, M. B. Proceedings of the Symposium in Memory of Professor Cert Due Billing; Copenhagen, 2003.
20. Holland, H. D. The Chemistry of the Atmosphere and Oceans; Wiley-Interscience: New York, 1978. Wayne, R. P. Chemistry of Atmospheres: An Introduction to the Chemistry of the Atmospheres of Earth, the Planets, and Their Satellites, 3rd ed.; Oxford University Press: Oxford, U.K., 2000.
21. Holland, H. D. The Chemistry of the Atmosphere and Oceans; Wiley-Interscience: New York, 1978. Wayne, R. P. Chemistry of Atmospheres: An Introduction to the Chemistry of the Atmospheres of Earth, the Planets, and Their Satellites, 3rd ed.; Oxford University Press: Oxford, U.K., 2000.
22. Aquilanti, V.; Cavalli, S.; Rusin, L. Yu.; Sevryuk, M. B. Proceedings of the XVIII International Conference on Molecular Energy Transfer (COMET XVIII); San Lorenzo de El Escorial, Spain, 2003; p 38 (8-TH).
23. Williamson, J. Am. J. Math. 1936, 58, 141-163.
24. Arnold, V. I. Mathematical Methods of Classical Mechanics, 2nd ed.; Springer: New York, 1997.
25. Bruno, A. D. The Restricted Three-Body Problem: Plane Periodic Orbits; Walter de Gruyter: Berlin, 1994.
26. Yarkony, D. R. J. Phys. Chem. 1996, 100, 17439-17445.
27. Alexander, M. H.; Manolopoulos, D. E.; Werner, H.-J. J. Chem. Phys. 2000, 113, 11084-11100.
28. Arnold, V. I. Sel. Math. (N. S.) 1995, 1, 1-19.
29. Chirkov, A. G. Tech. Phys. Lett. 2001, 27, 93-96.
30. Born, M. The Mechanics of the Atom; Frederick Ungar Publishing Co.: New York, 1960.
31. Bakai, A. S.; Stepanovskii, Yu. P. Adiabatic Invariants; Naukova Durnka: Kiev, 1981 (in Russian). Reinhard, W. P. Prog. Theor. Phys. Suppl. 1994, 116, 179-205.
32. Bakai, A. S.; Stepanovskii, Yu. P. Adiabatic Invariants; Naukova Durnka: Kiev, 1981 (in Russian). Reinhard, W. P. Prog. Theor. Phys. Suppl. 1994, 116, 179-205.
33. Arnold, V. I.; Kozlov, V. V.; Neishtadt, A. I. Mathematical Aspects of Classical and Celestial Mechanics, 2nd ed.; Springer: Berlin, 1997.
34. Wasow, W. Linear Turning Point Theory; Springer: New York, 1985.
35. Neishtadt, A. I. Private communication, 2003.
36. Krantz, S. G.; Parks, H. R. A Primer of Real Analytic Functions; Birkhäuser: Basel, Switzerland, 1992.
37. Cater, F. S. Real Analysis Exchange 2001/2002, 27, 77-79.
38. Kendrick, B. K.; Mead, C. A.; Truhlar, D. G. Chem. Phys. 2002, 277, 31-41.
39. Neuhauser, D.; Baer, M.; Judson, R. S.; Kouri, D. J. Comput. Phys. Commun. 1991, 63, 460-481 and references therein. Billing, G. D.; Mikkelsen, K. V. Advanced Molecular Dynamics and Chemical Kinetics; Wiley-Interscience: New York, 1997 and references therein. Ge, J.-Y.; Zhang, J. Z. H. J. Chem. Phys. 1998, 108, 1429-1433.
40. Neuhauser, D.; Baer, M.; Judson, R. S.; Kouri, D. J. Comput. Phys. Commun. 1991, 63, 460-481 and references therein. Billing, G. D.; Mikkelsen, K. V. Advanced Molecular Dynamics and Chemical Kinetics; Wiley-Interscience: New York, 1997 and references therein. Ge, J.-Y.; Zhang, J. Z. H. J. Chem. Phys. 1998, 108, 1429-1433.
41. Neuhauser, D.; Baer, M.; Judson, R. S.; Kouri, D. J. Comput. Phys. Commun. 1991, 63, 460-481 and references therein. Billing, G. D.; Mikkelsen, K. V. Advanced Molecular Dynamics and Chemical Kinetics; Wiley-Interscience: New York, 1997 and references therein. Ge, J.-Y.; Zhang, J. Z. H. J. Chem. Phys. 1998, 108, 1429-1433.
42. Nikitin, E. E.; Troe, J.; Ushakov, V. G. J. Chem. Phys. 1995, 102, 4101-4111.
43. Zhu, Ch.; Nikitin, E. E.; Nakamura, H. J. Chem. Phys. 1996, 104, 7059-7067.
44. Berry, M. V.; Robbins, J. M. Proc. R. Soc. London, Ser. A 1993, 442, 659-672.
45. Berry, M. V. Proc. R. Soc. London, Ser. A 1996, 452, 1207-1220.
46. Berry, M. V.; Sinclair, E. C. J. Phys. A: Math. Gen. 1997, 30, 2853-2861.
47. Baer, M.; Englman, R. Chem. Phys. Lett. 1997, 265, 105-108. Baer, M. J. Chem. Phys. 1997, 107, 10662-10666.
48. Baer, M.; Englman, R. Chem. Phys. Lett. 1997, 265, 105-108. Baer, M. J. Chem. Phys. 1997, 107, 10662-10666.
49. Baer, M.; Lin, Sh. H.; Alijah, A.; Adhikari, S.; Billing, G. D. Phys. Rev. A 2000, 62, 032506. Adhikari, S.; Billing, G. D.; Alijah, A.; Lin, Sh. H.; Baer, M. Phys. Rev. A 2000, 62, 032507.
50. Baer, M.; Lin, Sh. H.; Alijah, A.; Adhikari, S.; Billing, G. D. Phys. Rev. A 2000, 62, 032506. Adhikari, S.; Billing, G. D.; Alijah, A.; Lin, Sh. H.; Baer, M. Phys. Rev. A 2000, 62, 032507.
51. Tolstikhin, O. I.; Nakamura, H. J. Chem. Phys. 1998, 108, 8899-8921.
52. Aquilanti, V.: Capecchi, G.; Cavalli, S. Adv. Quantum Chem. 2000, 36, 341-363.
53. Aquilanti, V.; Candori, R.; Pirani, F. J. Chem. Phys. 1988, 89, 6157-6164.
54. Aquilanti, V.; Luzzatti, E.; Pirani, F.; Volpi, G. G. J. Chem. Phys. 1988, 89, 6165-6175.
55. Aquilanti, V.; Candori, R.; Mariani, L.; Pirani, F.; Liuti, G. J. Phys. Chem. 1989, 93, 130-135.
56. Aquilanti, V.; Liuti, G.; Pirani, F.; Vecchiocattivi, F. J. Chem. Soc., Faraday Trans. 2 1989, 85, 955-964 and references therein.
57. Aquilanti, V.; Candori, R.; Cappelletti, D.; Luzzatti, E.; Pirani, F. Chem. Phys. 1990, 145, 293-305.
58. Aquilanti, V.; Cappelletti, D.; Pirani, F.; Rusin, L. Yu.; Sevryuk, M. B.; Toennies, J. P. J. Phys. Chem. 1991, 95, 8248-8255.
59. Aquilanti, V.; Cappelletti, D.; Lorent, V.; Luzzatti, E.; Pirani, F. Chem. Phys. Lett. 1992, 192, 153-160.
60. Aquilanti, V.; Cappelletti, D.; Lorent, V.; Luzzatti, E.; Pirani, F. J. Phys. Chem. 1993, 97, 2063-2071.
61. Aquilanti, V.; Cappelletti, D.; Pirani, F. J. Chem. Soc., Faraday Trans. 1993, 89, 1467-1474.
62. Yamanishi, M.; Hirao, K.; Yamashita, K. J. Chem. Phys. 1998, 108, 1514-1521.
63. Burcl, R.; Krems, R. V.; Buchachenko, A. A.; Szczȩśsniak, M. M.; Chalasirński, G.; Cybulski, S. M. J. Chem. Phys. 1998, 109, 2144-2154.
64. Aquilanti, V.; Ascenzi, D.; Braca, E.; Cappelletti, D.; Pirani, F. Phys. Chem. Chem. Phys. 2000, 2, 4081-4088.
65. Hoffman, G. J.; Colletto, M. J. Chem. Phys. 2001, 114, 22192227.
66. Buchachenko, A. A.; Krems, R. V.; Szczȩśniak, M. M.; Xiao, Y. D.; Viehland, L. A.; Chalasiński, G. J. Chem. Phys. 2001, 114, 99199928.
67. Takayanagi, T.; Wada, A. J. Chem. Phys. 2001, 115, 6385-6393.
68. Krems, R. V.; Buchachenko, A. A.; Szczȩśniak, M. M.; Ktos, J.; Chalasiński, G. J. Chem. Phys. 2002, 116, 1457-1467.
69. Klos, J.; Chalasiński, G.; Krems, R. V.; Buchachenfco, A. A.; Aquilanti, V.; Pirani, F.; Cappelletti, D. J. Chem. Phys. 2002, 116, 92699280.
70. Aquilanti, V.; Grossi, G. J. Chem. Phys. 1980, 73, 1165-1172.
71. Aquilanti, V.; Casavecchia, P.; Grossi, G.; Laganà, A. J. Chem. Phys. 1980, 73, 1173-1180.
72. Aquilanti, V.; Luzzatti, E.; Pirani, F.; Volpi, G. G. J. Chem. Phys. 1980, 73, 1181-1186.
73. De Lara-Castells, M. P.; Krems, R. V.; Buchachenko, A. A.; Delgado-Barrio, G.; Villaneal, P. J. Chem. Phys. 2001, 115, 10438-10449.
74. Partridge, H.; Stallcop, J. R.; Levin, E. J. Chem. Phys. 2001, 115, 6471-6488.
75. Aquilanti, V.; Cavalli, S.; Grossi, G. Z Phys. D 1996, 36, 215-219.
76. Aquilanti, V.; Ascenzi, D.; Braca, E.; Cappelletti, D.; Pirani, F. Int. J. Mass Spectrosc. 1998, 179/180, 67-76.
77. Aquilanti, V.; Cavalli, S.; Pirani, F.; Volpi, A.; Cappelletti, D. J. Phys. Chem. A 2001, 105, 2401-2409.
78. Aquilanti, V.; Cavalli, S.; De Fazio, D.; Volpi, A.; Aguilar, A.; Giménez, X.; Lucas, J. M. Phys. Chem. Chem. Phys. 2002, 4, 401-415.
79. Klos, J.; Chatesiński, G.; Szczȩśniak, M. M. Int. J. Quantum Chem. 2002, 90, 1038-1048. Zeimen, W. B.; Klos, J.; Groenenboom, G. C. ; van der Avoird, A. J. Chem. Phys. 2003, 118, 7340-7352.
80. Klos, J.; Chatesiński, G.; Szczȩśniak, M. M. Int. J. Quantum Chem. 2002, 90, 1038-1048. Zeimen, W. B.; Klos, J.; Groenenboom, G. C. ; van der Avoird, A. J. Chem. Phys. 2003, 118, 7340-7352.
81. Radzig, A. A.; Smirnov, B. M. Reference Data on Atoms, Molecules, and Ions; Springer: Berlin, 1985.
82. Cramér, H. Mathematical Methods of Statistics, 2nd ed.; Princeton University Press: Princeton, NJ, 1999.
83. Neishtadt, A. I. J. Appl. Math. Mech. 1984, 48, 133-139.