Ab initio potential energy surface and bound states of the Xe-HF complex

Chemical Physics Letters

Volumn 495, Issue 4-6, 2010, Pages 166-169

  Zhang, Chunzao ^a   Wang, Zhongquan ^a   Yu, Haijun ^a   Du, Jianming ^a   Ma, Jianguo ^a  

^a HUAINAN NORMAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO POTENTIAL ENERGY SURFACE; BOUND STATE; CCSD; COUPLED-CLUSTER THEORY; DOUBLE EXCITATIONS; GLOBAL MINIMA; MIXED BASIS SETS; NON-ITERATIVE; TRANSITION FREQUENCIES; TRIPLE EXCITATION; VAN DER WAALS INTERACTIONS; WELL DEPTH;

POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; TWO DIMENSIONAL; VAN DER WAALS FORCES;

XENON;

EID: 77955422424     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2010.06.066     Document Type: Article

References (22)

1. Christopher M. Lovejoy, and David J. Nesbitt J. Chem. Phys. 93 1990 5387
2. Christopher M. Lovejoy, and David J. Nesbitt J. Chem. Phys. 94 1990 208
3. K.V. Chance, K.H. Bowen, J.S. Winn, and W. Klemperer J. Chem. Phys. 70 1979 5157
4. Christopher M. Lovejoy, Michael D. Schuder, and David J. Nesbitt J. Chem. Phys. 94 1990 208
5. F.A. Baiocchi, T.A. Dixon, C.H. Joyner, and W. Klemperer J. Chem. Phys. 75 1981 2041
6. Malgorzata Jeziorska, Piotr Jankowski, Krzysztof Szalewicz, and Bogumil Jeziorski J. Chem. Phys. 113 2000 2957
7. Jeremy M. Hutson J. Chem. Phys. 91 1989 4455
8. José Luis Cagide Fajín, Javier López Cacheiro, and Berta Fernández J. Chem. Phys. 121 2004 4599
9. G.T. Fraser, and A.S. Pine J. Chem. Phys. 85 1986 2502
10. K. Raghavachari, G.W. Trucks, J.A. Pople, and M. Head-Gordon Chem. Phys. Lett. 157 1989 479
11. C. Hampel, K. Peterson, and H.-J. Werner Chem. Phys. Lett. 190 1992 1
12. M.J.O. Deegan, and P.J. Knowles Chem. Phys. Lett. 227 1994 321
13. K.A. Peterson J. Chem. Phys. 119 2003 11099
14. K.A. Peterson, D. Figgen, E. Goll, H. Stoll, and M. Dolg J. Chem. Phys. 119 2003 11113
15. S.M. Cybulski, and R.R. Toczylowski J. Chem. Phys. 111 1999 10520
16. MOLPRO is a package of ab initio programs written by H.-J. Werner, P.J. Knowles, with contributions from R.D. Amos, A. Berning, D.L. Cooper et al.
17. S.F. Boys, and F. Bernardi Mol. Phys. 19 1970 553
18. E.Y. Feng, Z.Q. Wang, M.Y. Gong, and Z.F. Cui J. Chem. Phys. 127 2007 174301
19. R. Bukowski J. Chem. Phys. 110 1999 3785
20. Z.Q. Wang, M.Y. Gong, E.Y. Feng, and Z.F. Cui Chem. Phys. Lett. 443 2007 237
21. E.Y. Feng, W.Y. Huang, Z.F. Cui, and W.J. Zhang J. Mol. Structure: THEOCHEM 724 2005 195
22. Standard Reference Database. Available from .