Rotational spectrum, potential energy surface, and bound states of the weakly bound complex He-N2O

Journal of Chemical Physics

Volumn 121, Issue 24, 2004, Pages 12308-12314

  Song, Xiaogeng ^a   Xu, Yunjie ^a   Roy, Pierre Nicholas ^a   Jäger, Wolfgang ^a  

^a UNIVERSITY OF ALBERTA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

FREQUENCIES; INFRARED SPECTROSCOPY; MICROWAVES; NITROGEN COMPOUNDS; PARAMETER ESTIMATION; PERTURBATION TECHNIQUES; PHASE TRANSITIONS; POTENTIAL ENERGY; SURFACE PROPERTIES; VAN DER WAALS FORCES;

BOUND STATES; COUPLED CLUSTERS; POTENTIAL ENERGY SURFACES; ROTATIONAL TRANSITIONS;

HELIUM;

EID: 18744370148     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1819875     Document Type: Article

References (43)

1. S. Grebenev, J. P. Toennies, and A. F. Vilesov, Science 279, 2083 (1998).
2. J. P. Toennies and A. F. Vilesov, Annu. Rev. Phys. Chem. 49, 1 (1998).
3. G. Scoles and K. K. Lehmann, Science 287, 2429 (2000).
4. K. K. Lehmann and G. Scoles, Science 279, 2065 (1998).
5. J. Tang, Y. Xu, A. R. W. McKellar, and W. Jäger, Science 297, 2030 (2002).
6. J. Tang and A. R. W. McKellar, J. Chem. Phys. 119, 5467 (2003).
7. Y. Xu and W. Jäger, J. Chem. Phys. 119, 5457 (2003).
8. S. Moroni, A. Sarsa, S. Fantoni, K. E. Schmidt, and S. Baroni, Phys. Rev. Lett. 90, 143401 (2003).
9. F. Paesani, A. Viel, F. A. Gianturco, and K. B. Whaley, Phys. Rev. Lett. 90, 073401 (2003).
10. N. Blinov, X. Song, and P.-N. Roy, J. Chem. Phys. 120, 5916 (2004).
11. Y. Xu, W. Jäger, J. Tang, and A. R. W. McKellar, Phys. Rev. Lett. 91, 163401 (2003).
12. J. Tang and A. McKellar, J. Chem. Phys. 117, 2586 (2002).
13. B. Chang, O. Akin-Ojo, R. Bukowski, and K. Szalewicz, J. Chem. Phys. 119, 11654 (2003).
14. Y. Zhou and D. Xie, J. Chem. Phys. 120, 8575 (2004).
15. Y. Xu and W. Jäger, J. Chem. Phys. 106, 7968 (1997).
16. V. N. Markov, Y. Xu, and W. Jäger, Rev. Sci. Instrum. 69, 4061 (1998).
17. Y. Xu and W. Jäger, Chem. Phys. Lett. 350, 417 (2001).
18. Y. Xu and W. Jäger, J. Mol. Struct. 599, 211 (2001).
19. A. R. W. McKellar, Y. Xu, W. Jäger, and C. Bissonnette, J. Chem. Phys. 110, 10766 (1999).
20. H. M. Pickett, J. Mol. Spectrosc. 148, 371 (1991).
21. J. K. G. Watson, Vibrational Spectra and Structure, A Series of Advances, Vol. 6 (Elsevier, New York, 1977).
22. C. Costain, J. Chem. Phys. 29, 864 (1958).
23. K. Higgins and W. Klemperer, J. Chem. Phys. 110, 1383 (1999).
24. J. M. M. Howson and J. M. Hutson, J. Chem. Phys. 115, 5059 (2001).
25. F. Tao and Y. Pan, Mol. Phys. 81, 507 (1994).
26. T. Pederson, B. Fernandéz, M. Koch, and J. Makarwicz, J. Chem. Phys. 115, 8431 (2001).
27. S. Boys and F. Bernadi, Mol. Phys. 19, 553 (1970).
28. See AIP Document No. E-JCPSA6-002447 for the raw (ab initio) data points of the potential energy surface. A direct link to this document may be found in the online article's HTML reference section. The document may also be reached via the EPAPS homepage (http://www.aip.org/pubservs/epaps.html) or from ftp.aip.org in the directory /epasps/. See the EPAPS homepage for more information.
29. H.-J. Werner, P. J. Knowles, and R. Lindh et al., MOLPRO, version 2002.6, a package of ab initio programs, 2003, see http://www.molpro.net
30. T.-S. Ho and H. Rabitz, J. Chem. Phys. 104, 2584 (1996).
31. J. Tennyson and B. Sutcliffe, J. Chem. Phys. 77, 4061 (1982).
32. J. Tennyson and B. Sutcliffe, J. Chem. Phys. 79, 43 (1983).
33. S. Choi and J. Light, J. Chem. Phys. 92, 2129 (1990).
34. J. C. Light, I. P. Hamilton, and J. V. Lill, J. Chem. Phys. 82, 1400 (1985).
35. Z. Bačić and J. C. Light, Annu. Rev. Phys. Chem. 40, 469 (1989).
36. J. Light and T. Carrington, Jr., Adv. Chem. Phys. 114, 263 (2000).
37. H. Wei and T. Carrington, Jr., J. Chem. Phys. 97, 3029 (1992).
38. J. K. Cullum and R. A. Willoughby, Lanczos Algorithms for Large Symmetric Eigenvalue Computations (Birkhäuser, Boston, 1985).
39. T. Carrington, Jr., in Encyclopedia of Computational Chemistry, edited by P. von Ragué Schleyer (Wiley, New York, 1998), Vol. 5.
40. J. Reinartz, W. Merts, and A. Dynamus, Chem. Phys. 31, 19 (1978).
41. S. Moroni, N. Blinov, and P.-N. Roy, J. Chem. Phys. 121, 3577 (2004).
42. W. Jäger, Y. Xu, G. Armstrong, M. C. L. Gerry, F. Y. Naumkin, F. Wang, and F. R. W. McCourt, J. Chem. Phys. 109, 5420 (1998).
43. R. W. Randall, J. P. L. Summersgill, and B. J. Howard, J. Chem. Soc., Faraday Trans. 86, 1943 (1990).