Computation of polarizability anisotropies for molecules in dilute solution: An approach to the local field correction

Journal of Chemical Physics

Volumn 104, Issue 3, 1996, Pages 1018-1024

  Sun, Huai ^a   Mumby, Stephen J ^a  

^a ACCELRYS INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0042617243     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.470826     Document Type: Article

References (43)

1. P. N. Prasad and D. J. Williams, Introduction to Nonlinear Optical Effects in Molecules and Polymers (Wiley, New York, 1991).
2. R. J. W. Le Fèvre, J. Proc. R. Soc. New South Wales 95, 1 (1961).
3. H. J. Werner and W. Meyer, Mol. Phys. 31, 855 (1976).
4. C. Voisin, A. Cartier, and J.-L. Rivail, J. Phys. Chem. 96, 7966 (1992).
5. C. J. F. Böttcher, Theory of Electric Polarization (Elsevier, Amsterdam, 1952).
6. P. A. Madden, in Molecular Liquids, Dynamics, and Interactions, edited by A. J. Barnes, W. J. Orville-Thomas, and J. Yarwood (Reidel, Dordrecht, 1984).
7. P. A. Madden, in Molecular-Dynamics Simulation of Statistical-Mechanical Systems, edited by G. Ciccotti, and W. G. Hoover (Elsevier, Amsterdam, 1986).
8. T. Keyes and B. M. Ladanyi, Adv. Chem. Phys. 56, 411 (1984).
9. B. M. Ladanyi, in Phenomena Induced by Intermolecular Interactions, edited by G. Birnbaum (Plenum, New York, 1985).
10. C. G. Le Fèvre and R. J. W. Le Fèvre, in Techniques of Chemistry, edited by A. Weissberger (Wiley, New York, 1972), Vol. 1, p. 399.
11. S. Bhagavantam, Scattering of Light and the Roman Effect (Chemical, Brooklyn, 1942).
12. H. C. Van de Hulst, Light Scattering by Small Particles (Wiley, New York, 1957).
13. E. V. Chalam, Proc. Ind. Acad. Sci. 15A, 190 (1942).
14. R. P. Smith and E. M. Mortensen, J. Chem. Phys. 32, 502 (1960).
15. C. Clement and J. Botherel, J. Chem. Phys. 61, 878, 1262 (1964).
16. P. J. Flory, Statistical Mechanics of Chain Molecules (Hanser, Munich, 1988).
17. E. Riande and E. Saiz, Dipole Moments and Birefringence of Polymers (Prentice-Hall, Englewood Cliffs, NJ, 1992).
18. R. G. Parr and W. Yang, Density-Functional Theory of Atoms and Molecules (Oxford University, New York, 1989).
19. J. Guan, P. Duffy, J. T. Carter, D. P. Chong, K. C. Casida, M. E. Casida, and M. Wrinn, J. Chem. Phys. 98, 4753 (1993).
20. DMOL is distributed by Biosym Technologies, 1995.
21. G. D. Zeiss, W. R. Scott, N. Suzuki, D. P. Chong, and S. R. Langhoff, Mol. Phys. 37, 1543 (1979).
22. G. D. Zeiss and W. J. Meath, Mol. Phys. 33, 1155 (1977).
23. H. Stuart, in Landolt-Börnstein Zahlenwerte und Funktionen aus Physik, Chimie, Astronomie, Geophysik und Technik. Band I, Atom-und Molekularphysik, Teil 3, Molkeln II, edited by A. Eucken (Springer, Berlin, 1951), pp. 509-517.
24. A. J. Perkins, J. Phys. Chem. 68, 655 (1964).
25. K. B. MacAdam and N. F. Ramsay, Phys. Rev. A 6, 898 (1972).
26. M. P. Bogaard and B. J. Orr, in MTP International Review of Science: Physical Chemistry, Series 2, edited by A. D. Buckingham (Butterworths, London, 1975), Vol. 2, pp. 149-194.
27. J. S. Muenter, J. Chem. Phys. 56, 5409 (1972).
28. W. F. Murphy, J. Chem. Phys. 67, 5877 (1977).
29. H. A. Stuart, in Die Struktur des Freien Moleküls (Springer, Berlin, 1952).
30. R. J. W. Le Févre and B. P. Rao, J. Chem. Soc. 1957, 3644.
31. M. P. Bogaard, A. D. Buckingham, and G. L. D. Ritchie, J. Chem. Soc. Faraday Trans. 2 7, 1547 (1981).
32. R. J. W. Le Févre and L. Radom, J. Chem. Soc. B 1967, 1295.
33. U. W. Suter and P. J. Flory, J. Chem. Soc. Faraday Trans. 2 73, 1521 (1977).
34. I. R. Gentle, M. R. Hesling, and G. L. D. Ritchie, J. Phys. Chem. 94, 1844 (1990).
35. B. Erman, D. C. Marvin, P. A. Irvine, and P. J. Flory, Macromolecules 15, 664 (1982).
36. J. E. Katon and M. D. Cohen, Can. J. Chem. 53, 1378 (1975).
37. D. Labrenz and W. Schröer, J. Mol. Struct. 249, 327 (1991).
38. H. A. Lorentz, Theory of Electrons (Leipzig, 1909).
39. J. D. Jackson, Classical Electrodynamics, 2nd ed. (Wiley, New York, 1975).
40. J.-P. Hansen and I. R. McDonald, Theory of Simple Liquids, 2nd ed. (Academic, San Diego, 1990).
41. A. Warshel, P.N.A.S. 75, 2558 (1978);
42. J. Phys. Chem. 83, 1640 (1979).
43. J. Applequist, J. Phys. Chem. 94, 6584 (1990).