Long-range, collision-induced hyperpolarizabilities of atoms or centrosymmetric linear molecules: Theory and numerical results for pairs containing H or He

Journal of Chemical Physics

Volumn 105, Issue 24, 1996, Pages 10954-10968

  Li, Xiaoping ^a   Hunt, Katharine L C ^a   Pipin, Janusz ^b   Bishop, David M ^b  

^a MICHIGAN STATE UNIVERSITY   (United States)

^b UNIVERSITY OF OTTAWA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000840870     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.472867     Document Type: Article

References (114)

1. Y. R. Shen, The Principles of Nonlinear Optics (Wiley, New York, 1984).
2. D. P. Shelton and J. E. Rice, Chem. Rev. 94, 3 (1994).
3. H. Hampsch, J. Torkelson, S. Bethke, and S. Grubb, J. Appl. Phys. 67, 1037 (1990).
4. G. H. C. New and J. F. Ward, Phys. Rev. Lett. 19, 556 (1967);
5. J. F. Ward and G. H. C. New, Phys. Rev. 185, 57 (1969);
6. M. Thalhammer and A. Penzkofer, Appl. Phys. B 32, 137 (1983).
7. K. L. C. Hunt, Chem. Phys. Lett. 70, 336 (1980).
8. K. L. C. Hunt, NATO ASI Ser. B 127, 263 (1985).
9. A. D. Buckingham, E. P. Concannon, and I. D. Hands, J. Phys. Chem. 98, 10455 (1994).
10. L. Silberstein, Philos. Mag. 33, 92, 521 (1917).
11. A. D. Buckingham, Trans. Faraday Soc. 52, 1035 (1956).
12. S. Kielich, J. Phys. (Paris) 29, 619 (1968);
13. S. Kielich, J. Phys. (Paris) 43, 1749 (1982).
14. A. D. Buckingham and G. C. Tabisz, Mol. Phys. 36, 583 (1978).
15. T. Bancewicz, Mol. Phys. 50, 173 (1983);
16. Chem. Phys. 111, 409 (1987);
17. Chem. Phys. Lett. 213, 363 (1993);
18. S. Kielich, T. Bancewicz, and S. Wozniak, Can. J. Phys. 59, 1620 (1981);
19. M. Kazmierczak and T. Bancewicz, J. Chem. Phys. 80, 3504 (1984);
20. T. Bancewicz, W. Glaz, and S. Kielich, Chem. Phys. 128, 321 (1988);
21. Phys. Lett. A 148, 78 (1990);
22. W. Glaz, Physica A 148, 610 (1988);
23. Mol. Phys. 74, 1019 (1991).
24. K. L. C. Hunt, Y. Q. Liang, and S. Sethuraman, J. Chem. Phys. 89, 7126 (1988);
25. X. Li and K. L. C. Hunt, J. Chem. Phys. 100, 7875 (1994).
26. P. R. Certain and P. J. Fortune, J. Chem. Phys. 55, 5818 (1971).
27. A. D. Buckingham and K. L. Clarke, Chem. Phys. Lett. 57, 321 (1978).
28. K. L. C. Hunt, B. A. Zilles, and J. E. Bohr, J. Chem. Phys. 75, 3079 (1981).
29. Phenomena Induced by Intennolecular Interactions, edited by G. Birnbaum, NATO ASI Ser. B 127 (Plenum, New York, 1985).
30. A. Borysow and L. Frommhold, Adv. Chem. Phys. 75, 439 (1989).
31. Collision- and Interaction-Induced Spectroscopy, edited by G. C. Tabisz and M. N. Neuman, NATO ASI Ser. C 452 (Kluwer, Dordrecht, 1995).
32. T. K. Lim, B. Linder, and R. A. Kromhout, J. Chem. Phys. 52, 3831 (1970);
33. A. D. Buckingham and R. S. Watts, Mol. Phys. 26, 7 (1973);
34. E. F. O'Brien, V. P. Gutschick, V. McKoy, and J. P. McTague, Phys. Rev. A 8, 690 (1973);
35. P. J. Fortune and P. R. Certain, J. Chem. Phys. 61, 2620 (1974);
36. P. D. Dacre, Mol. Phys. 36, 541 (1978);
37. P. D. Dacre, Mol. Phys. 45, 17 (1982).
38. J. W. Kress and J. J. Kozak, J. Chem. Phys. 66, 4516 (1977);
39. P. D. Dacre, Can. J. Phys. 59, 1439 (1981);
40. P. D. Dacre, Can. J. Phys. 60, 963 (1982).
41. P. Lallemand, D. J. David, and B. Bigot, Mol. Phys. 27, 1029 (1974);
42. P. D. Dacre, Mol. Phys. 45, 1 (1982).
43. P. D. Dacre, Mol. Phys. 47, 193 (1982).
44. J. A. Bucaro and T. A. Litovitz, J. Chem. Phys. 54, 3846 (1971);
45. D. P. Shelton, M. S. Mathur, and G. C. Tabisz, Phys. Rev. A 11, 834 (1975);
46. A. R. Penner, N. Meinander, and G. C. Tabisz, Mol. Phys. 54, 479 (1985);
47. F. Barocchi, A. Guasti, M. Zoppi, S. M. El-Sheikh, G. C. Tabisz, and N. Meinander, Phys. Rev. A 39, 4537 (1989).
48. T. I. Cox and P. A. Madden, Mol. Phys. 39, 1487 (1980);
49. P. A. Madden and T. I. Cox, Mol. Phys. 43, 287 (1981);
50. B. Hegemann and J. Jonas, J. Chem. Phys. 82, 2845 (1985);
51. X. Song, R. Frattini, and J. Jonas, J. Chem. Phys. 89, 156 (1988).
52. J. M. Halbout and C. L. Tang, Appl. Phys. Lett. 40, 765 (1982);
53. B. I. Greene and R. C. Farrow, J. Chem. Phys. 77, 4779 (1982);
54. Chem. Phys. Lett. 98, 273 (1983);
55. B. I. Greene, P. A. Fleury, H. L. Carter, Jr., and R. C. Farrow, Phys. Rev. A 29, 271 (1984);
56. C. Kalpouzos, W. T. Lotshaw, D. McMorrow, and G. A. Kenney-Wallace, J. Phys. Chem. 91, 2028 (1987).
57. S. Ruhman, B. Kohler, A. G. Joly, and K. A. Nelson, Chem. Phys. Lett. 141, 16 (1987);
58. Y.-X. Yan and K. A. Nelson, J. Chem. Phys. 87, 6240, 6257 (1987);
59. S. Ruhman and K. A. Nelson, J. Chem. Phys. 94, 859 (1991);
60. B. Kohler and K. A. Nelson, J. Phys. Chem. 96, 6532 (1992);
61. L. C. Geiger and B. M. Ladanyi, Chem. Phys. Lett. 159, 413 (1989).
62. A. D. Buckingham and J. A. Pople, Trans. Faraday Soc. 51, 1029 (1955);
63. R. H. Orcutt and R. H. Cole, J. Chem. Phys. 46, 697 (1967);
64. T. K. Bose and R. H. Cole, J. Chem. Phys. 52, 140 (1970);
65. T. K. Bose, K. Boudjarane, J. Huot, and J. M. St-Amaud, J. Chem. Phys. 89, 7435 (1988);
66. J. Huot and T. K. Bose, J. Chem. Phys. 95, 2683 (1991).
67. A. D. Buckingham and D. A. Dunmur, Trans. Faraday Soc. 64, 1776 (1968);
68. D. A. Dunmur and N. E. Jessup, Mol. Phys. 37, 697 (1979);
69. D. A. Dunmur, D. C. Hunt, and N. E. Jessup, Mol. Phys. 37, 713 (1979).
70. K. L. C. Hunt and J. E. Bohr, J. Chem. Phys. 83, 5198 (1985);
71. K. L. C. Hunt and J. E. Bohr, J. Chem. Phys. 84, 6141 (1986).
72. D. M. Bishop and J. Pipin, J. Chem. Phys. 97, 3375 (1992);
73. D. M. Bishop and J. Pipin, J. Chem. Phys. 98, 4003 (1993);
74. D. M. Bishop and J. Pipin, J. Chem. Phys. 99, 4875 (1993).
75. D. M. Bishop and J. Pipin, Int. J. Quantum Chem. 59, 103 (1996).
76. J. E. Bohr and K. L. C. Hunt, J. Chem. Phys. 86, 5441;
77. J. E. Bohr and K. L. C. Hunt, J. Chem. Phys. 87, 3821 (1987).
78. E. A. Donley and D. P. Shelton, Chem. Phys. Lett. 215, 156 (1993);
79. E. A. Donley and D. P. Shelton, Chem. Phys. Lett. 228, 701 (1994).
80. M. G. Papadopoulos and J. Waite, Chem. Phys. Lett. 135, 361 (1987);
81. J. D. Augspurger and C. E. Dykstra, Int. J. Quantum Chem. 43, 135 (1992).
82. D. M. Bishop and M. Dupuis, Mol. Phys. 88, 887 (1996).
83. B. F. Levine and C. G. Bethea, J. Chem. Phys. 65, 2429 (1976).
84. C. C. Teng and A. F. Garito, Phys. Rev. Lett. 50, 350 (1983).
85. M. Stähelin, D. M. Burland, and J. E. Rice, Chem. Phys. Lett. 191, 245 (1992).
86. M. Stähelin, C. R. Moylan, D. M. Burland, A. Willetts, J. E. Rice, D. P. Shelton, and E. A. Donley, J. Chem. Phys. 98, 5595 (1993).
87. K. Hinsen, A. Bratz, and B. U. Felderhof, J. Chem. Phys. 97, 9299 (1992).
88. G. J. Ashwell, G. Jefferies, D. G. Hamilton, D. E. Lynch, M. P. S. Roberts, G. S. Bahra, and C. R. Brown, Nature 375, 385 (1995).
89. A. D. Buckingham, Adv. Chem. Phys. 12, 107 (1967).
90. D. M. Bishop, J. Chem. Phys. 100, 6535 (1994).
91. D. M. Bishop and J. Pipin, Chem. Phys. Lett. 236, 15 (1995).
92. B. J. Orr and J. F. Ward, Mol. Phys. 20, 513 (1971).
93. C. A. Coulson, Proc. Roy. Soc. Edinburgh, Ser A 61, 20 (1941).
94. D. M. Bishop and J. Pipin, J. Chem. Phys. 91, 3549 (1989).
95. D. M. Bishop and J. Pipin, Int. J. Quantum Chem. 45, 349 (1993).
96. D. M. Bishop, J. Pipin, and S. M. Cybulski, Phys. Rev. A 43, 4845 (1991).
97. W. H. Miller and H. F. Schaefer III, J. Chem. Phys. 53, 1421 (1970);
98. B. T. Ulrich, L. Ford, and J. C. Browne, J. Chem. Phys. 57, 2906 (1972). The potential curve of H-He has a very shallow minimum close to R=7.0 a.u.
99. B. Liu and A. D. McLean, J. Chem. Phys. 91, 2348 (1989);
100. R. A. Aziz and M. J. Slaman, J. Chem. Phys. 94, 8047 (1991);
101. J. B. Anderson, C. A. Traynor, and B. M. Boghosian, J. Chem. Phys. 99, 345 (1993).
102. I. Waller, Z. Physik 38, 635 (1926);
103. E. Schrödinger, Ann. Phys. 80, 437 (1926);
104. G. Wentzel, Z. Physik 38, 518 (1926);
105. P. S. Epstein, Nature 118, 444 (1926);
106. Phys. Rev. 28, 695 (1926).
107. A. D. Buckingham and P. G. Hibbard obtained a value of 1.383 19 a.u. for α and a value of 43.10 a.u. for γ, see Symp. Faraday Soc. 2, 41 (1968).
108. A. D. Buckingham, C. A. Coulson, and J. T. Lewis, Proc. Phys. Soc. A 69, 639 (1956).
109. G. L. Sewell, Proc. Camb. Phil. Soc. 45, 678 (1949).
110. It should be noted that we have applied the Unsöld approximation directly to expressions for the hyperpolarizabilities that include the ground state in the sum over states, rather than to the forms with secular divergences treated explicitly.
111. W. Byers Brown and D. M. Whisnant, Mol. Phys. 25, 1385 (1973);
112. D. M. Whisnant and W. Byers Brown, Mol. Phys. 26, 1105 (1973).
113. 6/α terms suggested by Hunt in Ref. 5 as an estimate for the dispersion effects. The difference in coefficients results from differences in the physical models used for dispersion-hyperpolarization effects.
114. AB computed as part of that work are listed in Table VII.