Basis set requirements for interactions in ionic systems: LiCl

Chemical Physics Letters

Volumn 468, Issue 4-6, 2009, Pages 286-289

  Mintz, Benjamin ^a   Wilson, Angela K ^a   Bagus, Paul S ^a  

^a UNIVERSITY OF NORTH TEXAS   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS FUNCTIONS; BASIS SETS; COUNTERION; DIPOLE POLARIZABILITY; IONIC SYSTEMS; SUPERPOSITION EFFECTS;

MOLECULES;

EID: 58149374273     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2008.12.010     Document Type: Article

References (32)

1. Szabo A., and Ostlund N.S. Modern Quantum Chemistry (1982), Dover Publications, Inc., Mineola, New York
2. Levine I.N. Quantum Chemistry (2000), Prentice-Hall, Inc., Upper Saddle River, New Jersey
3. Ahlrichs R., and Taylor P.R. J. Chim. Phys. Phys. Chim. Biol. 78 (1981) 315
4. Dunning Jr. T.H. J. Chem. Phys. 90 (1989) 1007
5. Woon D.E., and Dunning Jr. T.H. J. Chem. Phys. 98 (1993) 1358
6. Woon D.E., and Dunning Jr. T.H. J. Chem. Phys. 100 (1994) 2975
7. Wilson A.K., and Dunning Jr. T.H. J. Chem. Phys. 106 (1997) 8718
8. Schaefer A., Horn H., and Ahlrichs R. J. Chem. Phys. 97 (1992) 2571
9. Van Mourik T., Wilson A.K., Peterson K.A., et al. Adv. Quantum Chem. 31 (1999) 105
10. Feller D. J. Chem. Phys. 96 (1992) 6104
11. Davidson E.R., and Feller D. Chem. Rev. 86 (1986) 681
12. Hirshfelder J.O., Curtiss C.F., and Bird R.B. Molecular Theory of Gases and Liquids (1954), John Wiley, New York
13. Luo Y., Ågren H., and Jørgensen P. Adv. Quantum Chem. 26 (1995) 165
14. Boys S.F., and Bernardi F. Mol. Phys. 19 (1970) 553
15. Halkier A., Helgaker T., Jorgensen P., et al. Chem. Phys. Lett. 286 (1998) 243
16. Peterson K.A., Woon D.E., and Dunning Jr. T.H. J. Chem. Phys. 100 (1994) 7410
17. Andersen T., Haugen H.K., and Hotop H. J. Phys. Chem. Ref. Data 28 (1999) 1511
18. Chase Jr. M.W., Davies C.A., Downey Jr. J.R., et al. NIST-JANAF Tables J. Phys. Chem. Ref. Data. fourth edn. (1998)
19. Herzberg G. Molecular Spectra and Molecular Structure vol. I (1950), Van Nostrand, Princeton
20. Hampel C., Peterson K., and Werner H.J. Chem. Phys. Lett. 190 (1992) 1
21. Bagus P.S., Nelin C.J., and Bauschlicher Jr. C.W. J. Chem. Phys. 79 (1983) 2975
22. B.P. Prascher, K.A. Peterson, D.E. Woon, et al. The details of the exponents and contraction coefficients can be obtained from us by contacting A.K. Wilson at akwilson@unt.edu, accepted for publication.
23. Dunning Jr. T.H., Peterson K.A., and Wilson A.K. J. Chem. Phys. 114 (2001) 9244
24. Dunham J.L. Phys. Rev. 41 (1932) 713
25. Wilson E.B., Decius J.C., and Cross P.C. Molecular Vibrations, The Theory of Infrared and Raham Vibrational Spectra (1955), McGraw-Hill, New York
26. Noro T., Yoshimine M., Sekiya M., et al. Phys. Rev. Lett. 66 (1991) 1157
27. Bagus P.S., Broer R., and Parmigiani F. Chem. Phys. Lett. 421 (2006) 148
28. Nelin C.J., Bagus P.S., and Philpott M.R. J. Chem. Phys. 87 (1987) 2170
29. Schaefer III H.F. Methods of Electronic Structure Theory (1977), Plenum Press, New York
30. Bagus P.S., Clotet A., Curulla D., et al. J. Mol. Catal. A 119 (1997) 3
31. Huber K.P., and Herzberg G. Constants of Diatomic Molecules (2005), National Institute of Standards and Technology, Gaithersburg MD
32. Bauschlicher Jr. C.W., and Bagus P.S. J. Chem. Phys. 81 (1985) 5889