Interactions of ThO(X) with He, Ne and Ar from the ab initio coupled cluster and symmetry adapted perturbation theory calculations

Chemical Physics

Volumn 399, Issue , 2012, Pages 50-58

  Sayfutyarova, Elvira R ^a   Buchachenko, Alexei A ^a   Hapka, Michal ^b   Szcześniak, Małgorzata M ^c   Chałasiński, Grzegorz ^b  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

^b UNIVERSITY OF WARSAW   (Poland)

^c OAKLAND UNIVERSITY   (United States)

Author keywords

Intermolecular interactions; Long range expansion; Rovibrational energy levels; Thorium oxide; van der Waals complexes

Indexed keywords

EID: 84861347268     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2011.05.007     Document Type: Article

References (58)

1. M.C. Heaven Phys. Chem. Chem. Phys. 8 2006 4497
2. J.J. Katz, G.T. Seaborg, and L.R. Morss The Chemistry of the Actinides 2nd ed. 1986 Chapman and Hall London
3. E.R. Meyer, and J.L. Bohn Phys. Rev. A 78 2008 010502 R
4. A.C. Vutha, W.C. Campbell, Y.V. Gurevich, N.R. Hutzler, M. Parsons, D. Patterson, E. Petrik, B. Spaun, J.M. Doyle, G. Gabrielse, and D. DeMille J. Phys. B 43 2010 074007
5. G. Edvinsson, L.-E. Selvin, and N. Aslund Ark. Fys. 30 1965 28
6. G. Edvinsson, and A. Lagerqvist Phys. Scr. 41 1990 316
7. V. Goncharov, J. Han, L.A. Kaledin, and M.C. Heaven J. Chem. Phys. 122 2005 204311
8. C.T. Dewberry, K.C. Etchison, and S.A. Cooke Phys. Chem. Chem. Phys. 9 2007 4895
9. C.M. Marian, U. Wahlgren, O. Groppen, and P. Pyykkö J. Mol. Struct. (THEOCHEM) 169 1988 339
10. J. Paulovič, T. Nakajima, K. Hirao, and L. Seijto J. Chem. Phys. 117 2002 3597
11. J. Paulovič, T. Nakajima, K. Hirao, R. Lindh, and P.-Å. Malmqvist J. Chem. Phys. 119 2003 798
12. W. Küchle, M. Dolg, H. Stoll, and H. Preuss J. Chem. Phys. 100 1994 7535
13. L. Seijto, Z. Barandiarán, and E. Harguindey Chem. Phys. 114 2001 118
14. Y. Watanabe, and O. Matsuoka J. Chem. Phys. 107 1997 3738
15. A.A. Buchachenko J. Chem. Phys. 133 2010 041102
16. F. Wang, A. Le, T.C. Steimle, and M.C. Heaven J. Chem. Phys. 134 2011 031102
17. A.C. Vutha, private communication.
18. T.V. Tscherbul, E.R. Sayfutyarova, A.A. Buchachenko, and A. Dalgarno J. Chem. Phys. 134 2011 144301
19. G. Chałasiński, and M.M. Szcześniak Chem. Rev. 94 1994 1723
20. G. Chałasiński, and M.M. Szcześniak Chem. Rev. 100 2000 4227
21. C. Hampel, K. Peterson, and H.-J. Werner Chem. Phys. Lett. 190 1992 1
22. J.D. Watts, J. Gauss, and R.J. Bartlett J. Chem. Phys. 98 1993 8718
23. P.J. Knowles, and H.-J. Werner Chem. Phys. Lett. 115 1985 259
24. B. Jeziorski, R. Moszynski, and K. Szalewicz Chem. Rev. 94 1994 1887
25. B. Jeziorski, R. Moszynski, A. Ratkiewicz, S. Rybak, K. Szalewicz, H.L. Williams, in: E. Clementi (Ed.), Methods and Techniques in Computational Chemistry: METECC94, Medium-Size Systems, Vol. B, STEF, Cagliari, 1993, p. 79.
26. MOLPRO version 2009.1, a package of ab initio programs, H.-J. Werner, P.J. Knowles, R. Lindh, F.R. Manby, M. Schütz, and others, Cardiff, UK, 2009.
27. D.E. Woon, and T.H. Dunning Jr. J. Chem. Phys. 100 1994 2975
28. T.H. Dunning Jr. J. Chem. Phys. 90 1989 1007
29. D.E. Woon, and T.H. Dunning Jr. J. Chem. Phys. 98 1993 1358
30. X. Cao, M. Dolg, and H. Stoll J. Chem. Phys. 118 2003 487
31. X. Cao, and M. Dolg J. Mol. Struct. (THEOCHEM) 673 2004 203
32. A. Moritz, X. Cao, and M. Dolg Theor. Chem. Acc. 118 2007 845
33. S.M. Cybulski, and R.R. Toczylowski J. Chem. Phys. 111 1999 10520
34. S.F. Boys, and F. Bernardi Mol. Phys. 19 1970 553
35. G. Delgado-Barrio, and J.A. Beswick Y.G. Smeyers, Structure and Dynamics of Non-Rigid Molecular Systems 1994 Kluwer Dordrecht 203
36. A.A. Buchachenko, T.A. Grinev, J. Kłos, E.J. Bieske, M.M. Szcześniak, and G. Chałasiński J. Chem. Phys. 119 2003 12931
37. R.L. Wilson, Z.M. Loh, D.A. Wild, E.J. Bieske, and A.A. Buchachenko J. Chem. Phys. 121 2004 2085
38. C.H. Townes, and A.L. Schawlow Microwave Spectroscopy 1955 McGraw-Hill New York
39. D.J. Nesbitt, and R. Naaman J. Chem. Phys. 91 1989 3801
40. Y.J. Xu, W. Jäger, I. Ozier, and M.C.L. Gerry J. Chem. Phys. 98 1993 3726
41. T. Ogata, W. Jäger, I. Ozier, and M.C.L. Gerry J. Chem. Phys. 98 1993 9399
42. A. Hesselmann, and G. Jansen Chem. Phys. Lett. 362 2002 319
43. A. Hesselmann, and G. Jansen Chem. Phys. Lett. 367 2003 778
44. K. Patkowski, K. Szalewicz, and B. Jeziorski J. Chem. Phys. 125 2006 154107
45. K. Patkowski, and K. Szalewicz J. Chem. Phys. 127 2007 164103
46. M. Jeziorska, B. Jeziorski, and J. Cizek Int. J. Quant. Chem. 32 1987 149
47. R. Ahlrichs, R. Penco, and G. Scoles Chem. Phys. 19 1977 119
48. M. Ernzerhof, and G. Scuseria J. Chem. Phys. 110 1999 5029
49. M. Grüning, O.V. Gritsenko, S.J.A. van Gisbergen, and E.J. Baerends J. Chem. Phys. 114 2001 652
50. I.G. Kaplan Intermolecular Interaction 2006 Wiley New York
51. J.O. Hirschfelder, C.F. Curtiss, and R.B. Bird Molecular Theory of Gases and Liquids 1954 Wiley New York
52. A.D. Buckingham B. Pullman, Intermolecular interactions: From diatomics to biopolymers 1978 Wiley New York 1
53. F. London Z. Physik. 63 1930 245
54. F. London Z. Physik. Chem. B 11 1930 221
55. H.B.G. Casimir, and D. Polder Phys. Rev. 73 1948 360
56. A.J. Stone The Theory of Intermolecular Forces 2000 Clarendon Oxford
57. T. Korona, M. Przybytek, and B. Jesiorski Mol. Phys. 104 2006 2303
58. R.-F. Liu, C. Franzese, R. Malek, P.S. Zuchowski, J.A. Ángyán, M.M. Szcześniak, G. Chałasiński, J. Comp. Theor. Comp., submitted.