Electric moments of carbon dichalcogenides

Molecular Physics

Volumn 102, Issue 7, 2004, Pages 687-699

  Benkova, Zuzana ^a   Sadlej, Andrzej J ^b  

^a NICOLAUS COPERNICUS UNIVERSITY   (Poland)

^b Physics and Informatics   (Slovakia)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CORRELATION METHODS; ELECTRONS; METHOD OF MOMENTS; OXYGEN; PERTURBATION TECHNIQUES; POLARIZATION; SELENIUM COMPOUNDS; TELLURIUM COMPOUNDS; VAN DER WAALS FORCES;

CARBON DICHALCOGENIDES; CHARGE DISTRIBUTION; ELECTRIC MOMENTS; QUADRUPOLE MOMENTS;

CARBON;

EID: 3042850682     PISSN: 00268976     EISSN: None     Source Type: Journal    
DOI: 10.1080/00268970410001698919     Document Type: Article

References (92)

1. BUCKINGHAM, A. D., 1967, Adv. chem. Phys., 12, 107.
2. BUCKINGHAM, A. D., 1978, Intermolecular Interactions: From Diatomics to Biopolymers, edited by B. Pullman (New York: Wiley), p. 1.
3. BUCKINGHAM, A. D., and FOWLER, P. W., 1983, J. chem. Phys., 79, 6426.
4. BUCKINGHAM, A. D., and FOWLER, P. W., 1985, Canad. J. Chem., 63, 2018.
5. BUCKINGHAM, A. D., DISCH, R. L., and DUNMUR, D. A., 1968, J. Am. chem. Soc., 90, 3104.
6. FLYGARE, W. H., 1974, Chem. Rev., 74, 653.
7. KELLY, H. M., and FOWLER, P. W., 1993, Chem. Phys. Lett., 206, 568.
8. FLYGARE, W. H., HÜTTNER, W., SHOEMAKER, R. L., and FOSTER, P. D., 1969, J. chem. Phys., 50, 1714.
9. STOGRYN, D. E., and STOGRYN, A. P., 1966, Molec. Phys., 11, 371.
10. MAJER, W., LUTZMANN, P., and HÜTTNER, W., 1994, Molec. Phys., 83, 567.
11. HELGAKER, T., JØRGENSEN, P., and OLSEN, J., 2000, Molecular Electronic-Structure Theory (New York: Wiley).
12. WOLIŃSKI, K., SADLEJ, A. J., and KARLSTRÖM, G., 1991, Molec. Phys., 72, 425.
13. MAROULIS, G., and THAKKAR, A. J., 1990, J. chem. Phys., 93, 4165.
14. MAROULIS, G., 1992, Chem. Phys. Lett., 199, 250.
15. CORIANI, C., HALKIER, A., RIZZO, A., and RUUD, K., 2000, Chem. Phys. Lett., 326, 269.
16. CORIANI, C., HALKIER, A., JONSSON, D., GAUSS, J., RIZZO, A., and CHRISTIANSEN, O., 2003, J. chem. Phys., 118, 7329.
17. KENDALL, R. A., DUNNING JR., T. H., and HARRISON, R. J., 1992, J. chem. Phys., 96, 6796.
18. WOON, D. E., and DUNNING JR., T. H., 1994, J. chem. Phys., 100, 2975.
19. WOON, D. E., and DUNNING JR., T. H., 1995, J. chem. Phys., 103, 4572.
20. KELLÖ, V., and SADLEJ, A. J., 1991, J. chem. Phys., 95, 8248.
21. KELLÖ, V., and SADLEJ, A. J., 1992, Molec. Phys., 75, 209.
22. HIGGINS, K., and KLEMPERER, W., 1999, J. chem. Phys., 110, 1383.
23. ZILLICH, R. E., and WHALEY, K. B., 2003, Chem. Phys., 295, 275.
24. VAN DUIJNEVELDT-VAN DE RIJDT, J. G. C. M., and VAN DUIJNEVELDT, F. B., 1982, J. molec. Struct. (Theochem), 89, 185.
25. MUENTER, J. S., 1968, J. chem. Phys., 48, 4544.
26. DIJKERMAN, H. A., and RUITENBERG, G., 1969, Chem. Phys. Lett., 3, 172.
27. DE LEEUW, F. H., and DYMANUS, A., 1970, Chem. Phys. Lett., 7, 288.
28. TANAKA, K., TANAKA T., and SUZUKI, I., 1985, J. chem. Phys., 82, 2835.
29. FAYT, A., VANDENHAUTE, R., and LAHAYE, J.-G., 1986, J. molec. Spectr., 119, 233.
30. LAHAYE, J.-G., VANDENHAUTE, R., and FAYT, A., 1986, J. molec. Spectr., 119, 267.
31. LAHAYE, J.-G., VANDENHAUTE, R., and FAYT, A., 1987, J. molec. Spectr., 123, 48.
32. LANDOLT-BÖRNSTEIN, 1974, Numerical Data and Functional Relationships in Science and Technology, New Series, Group II, Vol. 6, Molecular Constants (Berlin: Springer).
33. LANDOLT-BÖRNSTEIN, 1982, Numerical Data and Functional Relationships in Science and Technology, New Series, Group II, Vol. 14a, Molecular Constants (Berlin: Springer).
34. LANDOLT-BÖRNSTEIN, 1992, Numerical Data and Functional Relationships in Science and Technology, New Series, Group II, Vol. 19c, Molecular Constants (Berlin: Springer).
35. WATSON, J. N., CRAVEN, I. E., and RITCHIE, G. L. D., 1997, Chem. Phys. Lett., 274, 1.
36. GRAHAM, C., IMRIE, D. A., and RAAB, R. E., 1998, Molec. Phys., 93, 49.
37. FLYGARE, W. H., and BENSON, R. C., 1971, Molec. Phys., 20, 225.
38. NELSON JR., R. D., LIDE, D. R., and MARYOTT, A. A., 1967, Selected Values of Electric Dipole Moments for Molecules in the Gas Phase, NSRDS-NBS 10 (Washington, DC: National Bureau of Standards).
39. WEAST, R. C., and ASTLE, M. J., 1998, CRC Handbook of Chemistry and Physics, 63rd edition (Boca Raton, FL: CRC Press).
40. BÜNDGEN, P., GREIN, F., and THAKKAR, A. J., 1995, J. molec. Struct. (Theochem), 334, 7.
41. DELUCA, G., RUSSO, N., SICILIA, E., and TOSCANO, M., 1996, J. chem. Phys., 105, 3206.
42. GIANTURCO, F. A., and SCHNEIDER, F., 1996, Molec. Phys., 89, 753.
43. GLASER, R., WU, Z., and LEWIS, M., 2000, J. molec. Struct., 556, 131.
44. JUNQUERA-HERNÁNDEZ, J. M., SÁNCHEZ-MARIN, J., and MAYNAU, D., 2002, Chem. Phys. Lett., 359, 343.
45. DE BROUCKÈRE, G., FELLER, D., and BERTHIER, G., 1987, J. Phys. B, 20, 5325.
46. SPACKMAN, M. A., 1988, J. phys. Chem., 93, 7594.
47. PETERSON, K. A., MAYRHOFER, R. C., and WOODS, R. C., 1991, J. chem. Phys., 94, 431.
48. RAGAVACHARI, K., TRUCKS, G. W., POPLE, J. A., and HEAD-GORDON, M., 1989, Chem. Phys. Lett., 157, 479.
49. DOUGLAS, M., and KROLL, N. M., 1974, Ann. Phys. (N.Y.), 82, 89.
50. HESS, B. A., 1985, Phys. Rev. A, 32, 756.
51. HESS, B. A., 1986, Phys. Rev. A, 33, 3742.
52. JANSEN, G., and HESS, B. A., 1989, Phys. Rev. A, 39, 6016.
53. BARYSZ, M., and SADLEJ, A. J., 2001, J. molec. Struct. (Theochem), 573, 181.
54. BARYSZ, M., 2003, Theoretical Chemistry and Physics of Heavy and Superheavy Elements, edited by U. Kaldor and S. Wilson (Dordrecht: Kluwer), p. 349.
55. BARYSZ, M., SADLEJ, A. J., and SNIJDERS, J. G., 1997, Int. J. quantum Chem., 65, 225.
56. BARYSZ, M., 2001, J. chem. Phys., 114, 9315.
57. BARYSZ, M., and SADLEJ, A. J., 2002, J. chem. Phys., 116, 2696.
58. KELLÖ, V., SADLEJ, A. J., and FAEGRI JR., K., 1998, J. chem. Phys., 108, 2056.
59. ČERNUŠÁK, I., DIERCKSEN, G. H. F., and SADLEJ, A. J., 1986, Phys. Rev. A, 33, 814.
60. BARYSZ, M., and SADLEJ, A. J., 1997, Theor. Chem. Acc., 97, 260.
61. KELLÖ, V., and SADLEJ, A. J., 2001, J. molec. Struct. (Theochem), 547, 35.
62. KELLÖ, V., SADLEJ, A. J., and HESS, B. A., 1996, J. chem. Phys., 105, 1995.
63. SADLEJ, A. J., 1988, Collect. Czech. chem. Commun., 53, 1995.
64. SADLEJ, A. J., 1991, Theor. chim. Acta, 79, 123.
65. ČERNUŠÁK, I., KELLÖ, V., and SADLEJ, A. J., 2003, Collect. Czech, chem. Commun., 68, 211.
66. PLUTA, T., and SADLEJ, A. J., 1998, Chem. Phys. Lett., 297, 391.
67. The web address for PolX and HyPolX basis sets are http://molpir.fns. uniba.sk/Pol.txt and http://molpir.fns.uniba.sk/HyPol.txt, respectively. The corresponding basis sets for relativistic DK calculations can be found at http://molpir.fns.uniba.sk/Pol_dk.txt and http://molpir.fns.uniba.sk/HyPol_dk. txt.
68. KELLÖ, V., and SADLEJ, A. J., 1996, Theor. chim. Acta, 94, 93.
69. MIADOKOVÁ, I., KELLÖ, V., and SADLEJ, A. J., 1997, Theor. Chem. Acc., 96, 166.
70. LANDOLT-BÖRNSTEIN, 1976, Numerical Data and Functional Relationships in Science and Technology, New SERIES, Group II, Vol. 7, Structure Data for Free Polyatomic Molecules (Berlin: Springer).
71. LANDOLT-BÖRNSTEIN, 1987, Numerical Data and Functional Relationships in Science and Technology, New SERIES, Group II, Vol. 15, Structure Data for Free Polyatomic Molecules (Berlin: Springer).
72. LANDOLT-BÖRNSTEIN, 1992, Numerical Data and Functional Relationships in Science and Technology, New SERIES, Group II, Vol. 21, Structure Data for Free Polyatomic Molecules (Berlin: Springer).
73. DAVIES, D. W., 1988, Molec. Phys., 63, 1071.
74. ANDERSSON, K., BARYSZ, M., BERNHARDSSON, A., BLOMBERG, M. R. A., COOPER, D. L., FÜLSCHER, M. P., DE GRAAF, C., HESS, B. A., KARLSTRÖM, G., LINDH, R., MALMQVIST, P.-Å., NAKAJIMA, T., NEOGRÁDY, P., OLSEN, J., ROOS, B. O., SCHIMMELPFENNIG, B., SCHÜTZ, M., SEIJO, L., SERRANO-ANDRÉS, L., SIEGBAHN, P. E. M., STÄLRING, J., THORSTEINSSON, T., VERYAZOV, V., and WIDMARK, P.-O., 2002, MOLCAS, Version 5.4 (Lund, Sweden: Lund University).
75. NEOGRÁDY, P., and URBAN, M., 1995, Int. J. quant. Chem., 55, 187.
76. URBAN, M., NEOGRÁDY, P., and HUBAČ, I., 1997, Recent Advances in Coupled Cluster Methods, edited by R. J. Bartlett (Singapore: World Scientific), p. 275.
77. EMSLEY, J., 1991, The Elements (Oxford: Clarendon Press).
78. BOGAARD, M. P., BUCKINGHAM, A. D., PIERENS, R. K., and WHITE, A. H., 1978, J. chem. Soc., Faraday Trans. 1, 74, 3008.
79. ALMS, G. R., BURNHAM, A. K., and FLYGARE, W. H., 1975, J. chem. Phys., 63, 3321.
80. BRIDGE, N. J., and BUCKINGHAM, A. D., 1966, Proc. Roy. Soc. (London), Ser. A, 295, 334.
81. PYYKKÖ, P., 1988, Chem. Rev., 88, 563.
82. SADLEJ, A. J., 1992, Theor. Chim. Acta, 81, 339.
83. BATTAGLIA, M. R., BUCKINGHAM, A. D., NEUMARK, D., PIERENS, R. K., and WILLIAMS, J. H., 1981, Molec. Phys., 43, 1015.
84. GRAHAM, C., PIERRUS, J., and RAAB, R. E., 1989, Molec. Phys., 67, 939.
85. RITCHIE, G. L. D., and VRBANCICH, J., 1980, J. chem. Soc., Faraday Trans. 2, 76, 1245.
86. KING, H., and HÜTTNER, W., 1984, Chem. Phys., 90, 207.
87. SHOEMAKER, R. L., and FLYGARE, W. H., 1970, Chem. Phys. Lett., 6, 576.
88. AMOS, R. D., and BATTAGLIA, M. R., 1978, Molec. Phys., 36, 1517.
89. AMOS, R. D., 1982, Chem. Phys. Lett., 85, 123.
90. WILLIAMS, J. H., and AMOS, R. D., 1979, Chem. Phys. Lett., 66, 370.
91. BUCKINGHAM, A. D., 1962, J. Chem. Phys., 26, 3096.
92. BONE, R. G. A., 1993, Chem. Phys. Lett., 206, 260.