The rovibrational structure of the Kr-HF complex from an ab initio interaction potential

Chemical Physics Letters

Volumn 501, Issue 4-6, 2011, Pages 206-210

  Wang, Zhongquan ^a   Zhang, Chunzao ^a   Feng, Eryin ^b   Yu, Haijun ^a   Du, Jianming ^a  

^a HUAINAN NORMAL UNIVERSITY   (China)

^b ANHUI NORMAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; BASIS SETS; BOUND STATE; CCSD; GLOBAL MINIMA; HIGH QUALITY; INTERACTION POTENTIALS; MIXED BASIS SETS; SPECTROSCOPIC CONSTANTS; WELL DEPTH;

QUANTUM CHEMISTRY;

KRYPTON;

EID: 78650852291     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2010.11.025     Document Type: Article

References (14)

1. G.T. Fraser, and A.S. Pine J. Chem. Phys. 85 1986 2502
2. Christopher M. Lovejoy, and David J. Nesbitt J. Chem. Phys. 94 1990 208
3. Christopher M. Lovejoy, and David J. Nesbitt J. Chem. Phys. 93 1990 5387
4. Christopher M. Lovejoy, Michael D. Schuder, and David J. Nesbitt J. Chem. Phys. 94 1990 208
5. K.V. Chance, K.H. Bowen, J.S. Winn, and W. Klemperer J. Chem. Phys. 70 1979 5157
6. F.A. Baiocchi, T.A. Dixon, C.H. Joyner, and W. Klemperer J. Chem. Phys. 75 1981 2041
7. José Luis Cagide Fajín, and Javier López Cacheiro J. Chem. Phys. 121 2004 4599
8. Malgorzata Jeziorska, Piotr Jankowski, and Krzysztof Szalewicz J. Chem. Phys. 113 2000 2957
9. Jeremy M. Hutson J. Chem. Phys. 91 1989 4455
10. S.F. Boys, and F. Bernardi Mol. Phys. 19 1970 53
11. MOLPRO is a package of ab initio programs written by H.-J. Werner and P.J. Knowles, with contributions from R. D. Amos, A. Berning, D.L. Cooper et al.
12. C. Hampel, K. Peterson, and H.-J. Werner Chem. Phys. Lett. 190 1992
13. E.Y. Feng, W.Y. Huang, Z.F. Cui, and W.J. Zhang J. Mol. Structure: THEOCHEM 724 2005 95
14. Standard Reference Database. Available from < http://webbook.nist.gov/ chemistry/ >.