CCSD(T) intermolecular potential between He atom and CIF molecule: Comparison with experiment

Journal of Chemical Physics

Volumn 119, Issue 8, 2003, Pages 4216-4222

  Prosmiti, Rita ^a   Cunha, Carlos ^a   Villarreal, Pablo ^a   Delgado Barrio, Gerardo ^a  

^a INSTITUTO DE MATEMÁTICAS Y FÍSICA FUNDAMENTAL   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CALCULATIONS; COMPUTER SIMULATION; EIGENVALUES AND EIGENFUNCTIONS; GROUND STATE; HAMILTONIANS; HELIUM; PERTURBATION TECHNIQUES; POLYNOMIALS; POTENTIAL ENERGY; TWO DIMENSIONAL; VAN DER WAALS FORCES;

INTERMOLECULAR POTENTIAL; LEGENDRE POLYNOMIALS; POTENTIAL ENERGY SURFACE; SOFTWARE PACKAGE GAUSSIAN 98;

MOLECULAR PHYSICS;

EID: 0042882434     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1592495     Document Type: Article

References (28)

1. A. Rohrbacher, J. Williams, and K. C. Janda, Phys. Chem. Chem. Phys. 1, 5263 (1999).
2. S. J. Harris, S. E. Novick, W. Klemperer, and W. E. Falconer, J. Chem. Phys. 61, 193 (1974).
3. S. E. Novick, S. J. Harris, K. C. Janda, and W. Klemperer, Can. J. Phys. 53, 2007 (1975).
4. K. Higgins, F.-M. Tao, and W. Klemperer, J. Chem. Phys. 109, 3048 (1998).
5. J. B. Davey, A. C. Legon, and E. R. Waclawicki, Chem. Phys. Lett. 306. 133 (1999).
6. Y. Xu, W. Jäger, I. Ozier, and M. C. L. Gerry, J. Chem. Phys. 98, 3726 (1993).
7. A. E. Stevens Miller, C.-C. Chuang, H. C. Fu, K. J. Higgins, and W. Klemperer, J. Chem. Phys. 111, 7844 (1999).
8. K. W. Chan, T. D. Power, J. Jai-nhuknan, and S. M. Cybulski, J. Chem. Phys. 110, 860 (1999).
9. S. M. Cybulski and J. S. Holt, J. Chem. Phys. 110, 7745 (1999).
10. R. Prosmiti, C. Cunha, P. Villarreal, and G. Delgado-Barrio, J. Chem. Phys. 116, 9249 (2002).
11. R. Prosmiti, P. Villarreal, and G. Delgado-Barrio, Chem. Phys. Lett. 359, 473 (2002).
12. M. J. Frisch, G. W. Trucks, H. B. Schlegel et al., GAUSSIAN 98, Revision A.7, Gaussian, Inc., Pittsburgh, PA, 1998.
13. Environmental Molecular Sciences Laboratory, http://www.emsl.pnl.gov/
14. F.-M. Tao and Y. K. Pan, J. Chem. Phys. 97, 4989 (1992)
15. F.-M. Tao and Y. K. Pan, Mol. Phys. 81, 507 (1994).
16. F.-M. Tao and W. Klemperer, J. Chem. Phys. 97, 440 (1992).
17. G. Chalasinski and M. M. Szczesniak, Chem. Rev. 94, 1723 (1994).
18. F.-M. Tao, J. Chem. Phys. 100, 3645 (1994).
19. S. M. Cybulski and R. R. Toczylowski, J. Chem. Phys. 111, 10520 (1999).
20. R. R. Teachout and R. T Pack, At. Data 3, 195 (1971).
21. B. Fabricant and J. S. Muenter, J. Chem. Phys. 66, 5274 (1977).
22. NIST Standard Reference Database Number 69-February 2000 Release, http://webbeok.nist.gov/chemistry/
23. S. F. Boys and F. Bernardi, Mol. Phys. 19, 553 (1970).
24. See EPAPS Document No. E-JCPSA6-119-305332 for 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/epaps/. See the EPAPS homepage for more information.
25. J. T. Muckerman, Chem. Phys. Lett. 173, 200 (1990).
26. R. N. Zare, Angular Momentum (wiley, New York, 1988).
27. O. Roncero, J. A. Beswick, N. Halberstadt, P. Villarreal, and G. Delgado-Barrio, J. Chem. Phys. 92, 3348 (1990).
28. R. Prosmiti, P. Villarreal, and G. Delgado-Bario (unpublished).