Optimization of basis sets in valence bond calculations

Chemical Physics Letters

Volumn 311, Issue 3-4, 1999, Pages 315-320

  Wu, Jian ^a   Jiang, Yuansheng ^a  

^a NANJING UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0042780831     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(99)00793-9     Document Type: Article

References (17)

1. Pauling L., Wheland G.W. J. Chem. Phys. 1:1933;362.
2. L. Pauling, The Nature of the Chemical Bond, Cornell University Press, Ithaca, NY, 1940.
3. Rumer G. Nachr. Ges. Wiss. Göttingen Math.-Phys. Kl. 337:1932.
4. Van Vleck J.H., Sherman A. Rev. Mod. Phys. 7:1953;167.
5. R. Mcweeny, Methods of Molecular Quantum Mechanics, Academic Press, London, 1992.
6. Klein D.J. Pure Appl. Chem. 55:1983;299.
7. Klein D.J. Top. Curr. Chem. 59:1990;153.
8. Bondeson S.P., Soos Z.G. Phys. Rev. B. 22:1980;1793.
9. Ramasesha S., Soos Z.G. J. Chem. Phys. 98:1993;4015.
10. Flocke N., Schmalz T.G., Klein D.J. J. Chem. Phys. 109:1998;873.
11. Lanczos C.J. Res. Natl. Bur. Stand. 45:1950;255.
12. Li S., Jiang Y. J. Am. Chem. Soc. 117:1995;8401.
13. Ma J., Li S., Jiang Y. J. Phys. Chem. 100:1996;15068.
14. Ma J., Li S., Jiang Y. J. Phys. Chem. A. 101:1997;4770.
15. Liu C.G., Shao Y.H., Jiang Y.S. Chem. Phys. Lett. 228:1994;131.
16. F.A. Cotton, Chemical Applications of Group Theory, Wiley, New York, 1963.
17. D.M. Bishop, Group Theory and Chemistry, Clarendon, Oxford, 1973.