Molecules in static electric fields: Linear and nonlinear polarizability of [Formula Presented] and [Formula Presented]

Physical Review A - Atomic, Molecular, and Optical Physics

Volumn 57, Issue 4, 1998, Pages 2440-2447

  Maroulis, George ^a,b   Pouchan, Claude ^b  

^a UNIVERSITY OF PATRAS   (Greece)

^b UNIVERSITÉ DE PAU ET DES PAYS DE L'ADOUR   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 4243334034     PISSN: 10502947     EISSN: 10941622     Source Type: Journal    
DOI: 10.1103/PhysRevA.57.2440     Document Type: Article

References (57)

1. B. N. Bhattacharya and W. Gordy, Phys. Rev. 119, 144 (1960).PHRVAO
2. J. K. Tyler and J. Sheridan, Trans. Faraday Soc. 59, 2661 (1963).TFSOA4
3. J. K. Tyler, J. Chem. Phys. 40, 1170 (1964).JCPSA6
4. S. Gustafson and W. Gordy, J. Chem. Phys. 58, 5181 (1973).JCPSA6
5. S. L. Hartford, W. C. Allen, C. L. Norris, E. F. Pearson, and W. H. Flygare, Chem. Phys. Lett. 18, 153 (1973).CHPLBC
6. R. L. DeLeon and J. S. Muenter, J. Chem. Phys. 80, 3992 (1984).JCPSA6
7. M. A. Spackman, J. Phys. Chem. 93, 7594 (1989).JPCHAX
8. H. E. Watson and K. L. Ramaswamy, Proc. R. Soc. London, Ser. A 156, 144 (1936).PRLAAZ
9. C. J. Jameson and P. W. Fowler, J. Chem. Phys. 85, 3432 (1985).JCPSA6
10. S. Y. Liu and C. E. Dykstra, J. Phys. Chem. 91, 1749 (1987).JPCHAX
11. J. E. Bloor and J. Yu, J. Phys. Chem. 94, 5586 (1990).JPCHAX
12. M. Stähelin, C. R. Moylan, D. M. Burland, A. Willets, J. E. Rice, D. P. Shelton, and E. A. Donley, J. Chem. Phys. 98, 5595 (1993).JCPSA6
13. M. Duran, Y. Yamaguchi, R. B. Remington, and H. F. Schaefer, Chem. Phys. 122, 201 (1988).CMPHC2
14. P. W. Fowler and G. H. F. Diercksen, Chem. Phys. Lett. 167, 105 (1990).CHPLBC
15. A. Rizzo, T. Helgaker, K. Ruud, A. Barszczewicz, M. Jaszunski, and P. Jørgensen, J. Chem. Phys. 102, 8953 (1995).JCPSA6
16. G. Maroulis and C. Pouchan, Theor. Chim. Acta 93, 131 (1996).TCHAAM
17. D. C. Hanna, M. A. Yuratich, and D. Cotter, Nonlinear Optics of Atoms and Molecules (Springer, Berlin, 1979).
18. Y. R. Shen, Principles of Nonlinear Optics (Wiley, New York, 1984).
19. N. F. Lane, Rev. Mod. Phys. 52, 29 (1980).RMPHAT
20. Phenomena Induced by Intermolecular Interactions, edited by G. Birnbaum (Plenum, New York, 1985).
21. C. E. Dykstra, J. Am. Chem. Soc. 112, 7540 (1990).JACSAT
22. C. E. Dykstra, J. Phys. Chem. 94, 180 (1990).JPCHAX
23. K. L. C. Hunt, Y. Q. Liang, and S. Sethuraman, J. Chem. Phys. 89, 7126 (1988).JCPSA6
24. B. Yang, D. E. Sullivan, B. Tjipto-Margo, and C. G. Gray, J. Phys. F 3, 109 (1991).JCOMEL
25. A. Elliasmine, J.-L. Godet, Y. Le Duff, and T. Bancewicz, Mol. Phys. 90, 147 (1997).MOPHAM
26. Collision and Interaction Induced Spectroscopy, edited by G. C. Tabisz and N. Neuman (Kluwer, Dordrecht, 1995).
27. Strategies and Applications in Quantum Chemistry, edited by Y. Ellinger and M. Defranceschi (Kluwer, Dordrecht, 1996).
28. A. A. Hasanein, Adv. Chem. Phys. 85, 415 (1993).ADCPAA
29. D. M. Bishop, Adv. Quantum Chem. 25, 1 (1994).AQCHA9
30. Y. Luo, H. Ågren, P. Jørgensen and K. V. Mikkelsen, Adv. Quantum Chem. 26, 165 (1995).AQCHA9
31. J. Olsen and P. Jørgensen, in Modern Electronic Structure Theory, edited by D. R. Yarkony (World Scientific, London, 1995), p. 857.
32. R. J. Bartlett and H. Sekino, in Nonlinear Optical Materials: Theory and Modeling, edited by S. P. Karna and A. T. Yeats, ACS Symposium Series No. 628 (ACS, Washington, D.C., 1996), p. 23.
33. G. Maroulis, J. Phys. Chem. 100, 13 466 (1996).JPCHAX
34. A. D. Buckingham, Adv. Chem. Phys. 12, 107 (1967).ADCPAA
35. A. D. McLean and M. Yoshimine, J. Chem. Phys. 47, 1927 (1967).JCPSA6
36. G. Maroulis, J. Phys. B 26, 2957 (1993).JPAPEH
37. G. Maroulis, Chem. Phys. Lett. 199, 244 (1992).CHPLBC
38. G. Maroulis and D. M. Bishop, Chem. Phys. 96, 409 (1985).CMPHC2
39. G. Maroulis, Chem. Phys. Lett. 199, 250 (1992).CHPLBC
40. J. Paldus and J. Cizek, Adv. Quantum Chem. 9, 105 (1975).AQCHA9
41. R. J. Bartlett, Annu. Rev. Phys. Chem. 32, 359 (1981).ARPLAP
42. A. Szabo and N. S. Ostlund, Modern Quantum Chemistry (McMillan, New York, 1982).
43. S. Wilson, Electron Correlation in Molecules (Clarendon, Oxford, 1984).
44. K. Raghavachari, G. W. Trucks, J. A. Pople, and M. Head-Gordon, Chem. Phys. Lett. 157, 479 (1987).CHPLBC
45. M. Urban, I. Cernusak, V. Kellö, and J. Noga, Methods Comp. Chem. 1, 117 (1987).
46. J. D. Watts, J. Gauss, and R. J. Bartlett, Chem. Phys. Lett. 200, 1 (1992).CHPLBC
47. T. H. Dunning, J. Chem. Phys. 53, 2383 (1970).JCPSA6
48. H. Partridge, NASA Technical Memorandum No. 89449, 1987 (unpublished).
49. H. Partridge, NASA Technical Memorandum No. 101044, 1989 (unpublished).
50. T. H. Dunning and P. J. Hay, in Methods of Electronic Structure Theory, edited by H. F. Schaefer (Plenum, New York, 1987), p. 1.
51. G. Winnewisser, A. G. Maki, and D. R. Johnson, J. Mol. Spectrosc. 39, 149 (1971).JMOSA3
52. G. Strey and I. M. Mills, Mol. Phys. 26, 129 (1973).MOPHAM
53. M. J. Frisch, J. S. Binkley, H. B. Schlegel, K. Raghavachari, C. F. Melius, R. L. Martin, J. J. P. Stewart, F. W. Bobrowicz, C. M. Rohlfing, L. R. Kahn, D. J. Defrees, R. Seeger, R. A. Whiteside, D. J. Fox, E. M. Fleuder, and J. A. Pople, GAUSSIAN 86 (Carnegie-Mellon Quantum Chemistry Publishing Unit).M. J. Frisch, G. W. Trucks, M. Head-Gordon, P. M. W. Gill, M. W. Wong, J. B. Foresman, B. G. Johnson, H. B. Schlegel, M. A. Robb, E. S. Replogle, R. Gomperts, J. L. Andres, K. Raghavachari, J. S. Binkley, C. Gonzalez, R. L. Martin, D. J. Fox, D. J. Defrees, J. Baker, J. J. P. Stewart, and J. A. Pople, GAUSSIAN 92 (Revision C) (Carnegie-Mellon Quantum Chemistry Publishing Unit).
54. The sign of the first dipole hyperpolarizability is unambiguously defined by definition [Eq. (1)] and the given molecular orientation. In experimental determinations [see the careful analysis by X. Ward and X. Miller, Phys. Rev. A 19, 826 (1979)] the sign of the measured quantity (Formula presented) is also unambiguously determined and its sign is ascribed (term used by Ward and Miller) to (Formula presented) Confusion is easily avoided in comparisons of theoretical predictions to experimentally determined values.PLRAAN
55. C. E. Dykstra, S. Y. Liu, and D. J. Malik, Adv. Chem. Phys. 75, 37 (1989).ADCPAA
56. M. Grayson and W. T. Raynes, Chem. Phys. Lett. 214, 473 (1993).CHPLBC
57. See Spackman’s discussion, in Ref. 7, p. 7600.