Anisotropic dipole polarizabilities and quadrupole moments of open-shell atoms and ions: O, F, S, Cl, Se, Br and isoelectronic systems

Molecular Physics

Volumn 98, Issue 7, 2002, Pages 453-463

  Medved M ^a   Fowler, P W ^b   Hutson, J M ^c  

^a MATEJ BEL UNIVERSITY   (Slovakia)

^b UNIVERSITY OF EXETER   (United Kingdom)

^c DURHAM UNIVERSITY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; BROMINE; CHLORINE; ELECTRON ENERGY LEVELS; FLUORINE; HAMILTONIANS; IONS; OXYGEN; PERTURBATION TECHNIQUES; POLARIZATION; SELENIUM; SULFUR;

ANISOTROPIC DIPOLE POLARIZABILITIES; COMPLETE ACTIVE SPACE PERTURBATION THEORY; COMPLETE ACTIVE SPACE SELF CONSISTENT FIELD; ISOELECTRONIC SYSTEMS; QUADRUPOLE MOMENTS;

MOLECULAR PHYSICS;

EID: 0037052259     PISSN: 00268976     EISSN: None     Source Type: Journal    
DOI: 10.1080/002689700162450     Document Type: Article

References (48)

1. Buckingham, A. D., 1978, Intermolecular Interactions-From Diatomics to Biopolymers, edited by B. Pullman (New York: Wiley), Ch. 1.
2. Roos. B. O., Taylor, P. R., and Siegbahn, P. E. M., 1980, Chem. Phys., 48, 157.
3. Siegbahn, P. E. M., Almlöf, J., Heilberg, A., and Roos, B. O., 1981, J. chem. Phys., 74, 2384.
4. Roos, B. O., 1987, Adv. chem. Phys., 69, 399.
5. Diercksen, G. H. F., Roos, B. O., and Sadlej, A. J., 1981, Chem. Phys., 59, 29.
6. Jörgensen, P., and Simons, J., 1986, Geometrical Derivatives of Energy Surfaces and Molecular Properties (Dordrecht: Reidel), and references therein.
7. Bederson, B., and Robinson. E. J., 1966, Adv. chem. Phys., 10, 1, and references therein.
8. Werner, H. J., and Meyer, W., 1976, Phys. Rev. A, 13, 13.
9. Reinsch, E. A., and Meyer, W., 1976, Phys. Rev. A, 14, 915.
10. Buckingham, A. D., 1967, Adv. chem. Phys., 12, 107.
11. Kirkwood, J. G., 1932, Phys. Z., 33, 57.
12. Andersson, K., and Sadlej, A. J., 1992, Phys. Rev. A, 46, 2356.
13. Andersson, K., Malmquist, P. A., and Roos, B. O., 1992, J. chem. Phys., 96, 1218.
14. Andersson, K., Malmquist, P. A., Roos, B. O., Sadlej, A. J., and Wolinski, K., 1990, J. phys. Chem., 94, 5483, and references therein.
15. Moss, R. E., 1973, Advanced Molecular Quantum Mechanics (London: Chapman & Hall).
16. Cowan, R. D., and Griffin, D. C., 1976, J. opt. Soc. Am., 66, 1010.
17. Douglas, M., and Kroll, N. M., 1974, Ann. Phys., 82, 89.
18. Sucher, J., 1980, Phys. Rev. A, 22, 348.
19. Hess, B. A., 1986, Phys. Rev. A, 33, 1742.
20. Hess, B. A., and Chandra, P., 1987, Phys. scripta, 36, 412.
21. Samzov, R., Hess, B. A., and Jensen, G., 1992, J. chem. Phys., 96, 1227.
22. Gleichmann, M. M., and Hess, B. A., 1994, Chem. Phys. Lett., 227, 1.
23. Kaldor, U., and Hess, B. A., 1994, Chem. Phys. Lett., 230, 229.
24. Collins, C. L., Dyall, K. D., and Schaeffer III, H. F., 1995, J. chem. Phys., 102, 2024.
25. Ilias, M., and Neogrady, P., 1999, Chem. Phys. Lett., 309, 441.
26. Miadoková, I., Kellö, V., and Sadlej, A. K., 1997, Theor. Chim. Acta, 96, 166.
27. Diercksen, G. H. F., Roos, B. O., and Sadlej, A. J., 1985, Int. J. quantum Chem. Symp., 17, 265, and references therein.
28. Urban, M., Černušak, I., Kellö, V., and Noga, J., 1987, Methods in Computational Chemistry, Vol. 1, edited by S. Wilson (New York: Plenum), p. 117, and references therein.
29. Bartlett, J. R., 1989, J. phys. Chem., 93, 1697, and references therein.
30. Schröder, K., Staemmler, V., Smith, M. D., Flower, D. R., and Jaquet, R., 1991, J. Phys. B, 24, 2487.
31. Jaquet, R., Staemmler, V., Smith, M. D., and Flower, D. R., 1992, J. Phys. B, 25, 285.
32. Roos, B. O., and Sadlej, A. J., 1985, Chem. Phys., 94, 43.
33. Sadlej, A. J., 1988, Collect. Czech. Chem. Commun., 53, 1995.
34. Sadlej, A. J., 1991, Theor. Chim. Acta, 79, 123.
35. Pluta, T., to be published.
36. Wolinski, K., Sadlej, A. J., and Karlstöm, G., 1991, Molec. Phys., 72, 425.
37. Emsley, J., 1989 The Elements (Oxford: Oxford University Press).
38. Urban, M., Watts, J. D., and Bartlett, R. J., 1994, Int. J. quantum Chem., 52, 211.
39. Andersson, K., Fülscher, M. P., Lindh, R., Malmquist, P. A., Olsen, J., Roos, B. O., Sadlej, A. J., and Widmark, P. O., 1991, MOLCAS System of Quantum Chemistry Programs, Release 02 (Sweden: Theoretical Chemistry, University of Lund).
40. Carrington, A., Leach, C. A., Marr, A. J., Shaw, A. M., Viant, M. R., Hutson, J. M., and Law, M. M., 1995, J. chem. Phys., 102, 2379.
41. Carrington, A., Pyne, C. H., Shaw, A. M., Taylor, S. M., Hutson, J. M., and Law, M. M., 1996, J. chem. Phys., 105, 8602.
42. Siska, P. E., 1986, J. chem. Phys., 85, 7497.
43. Chang, T. Y., 1967, Rev. mod. Phys., 39, 911.
44. Buckingham, A. D., Fowler, P. W., and Hutson, J. M. 1988. Chem. Rev., 88, 963.
45. Tang, K. T., 1969, Phys. Rev., 177, 108.
46. Dubernet, M. L., and Hutson, J. M., 1994, J. phys. Chem., 98, 5844.
47. Dobbyn, A. J., Connor, J. N. L., Besley, N. A., Knowles, P. J., and Schatz, G. C., 1999, PCCP, 1, 957.
48. Liu, K., Kolessov, A., Partin, J. W., Bezel, I., and Wittig, C., 1999, Chem. Phys. Lett., 299, 374.