The convergence of basis set contractions: A case study of the molecular hyperfine structure of 14NH2

Journal of Chemical Physics

Volumn 107, Issue 16, 1997, Pages 6270-6274

  Kong, Jing ^a   Boyd, Russell J ^a  

^a DALHOUSIE UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0013033818     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.475133     Document Type: Article

References (33)

1. E. R. Davidson and D. Feller, Chem. Rev. 86, 681 (1986).
2. T. H. Dunning, Jr., J. Chem. Phys. 90, 1007 (1989).
3. R. A. Kendall, T. H. Dunning, Jr., and R. J. Harrison, J. Chem. Phys. 96, 6796 (1992).
4. D. Feller and E. R. Davidson, J. Chem. Phys. 88, 7580 (1988).
5. D. Feller and E. R. Davidson, J. Chem. Phys. 90, 1024 (1989).
6. T. H. Dunning, Jr., J. Chem. Phys. 53, 2823 (1970).
7. R. C. Raffenetti, J. Chem. Phys. 58, 4452 (1973).
8. R. D. Bardo and K. Ruedenberg, J. Chem. Phys. 60, 918 (1974).
9. J. Almlöf and P. R. Taylor, J. Chem. Phys. 86, 4070 (1987).
10. J. Almlöf and P. R. Taylor, Adv. Quantum Chem. 22, 301 (1991) and references therein for other variations of ANO approaches and applications.
11. K. Ohta, H. Nakatsuji, K. Hirao, and T. Yonezawa, J. Chem. Phys. 73, 1770 (1980).
12. H. Sekino and R. J. Bartlett, J. Chem. Phys. 82, 4225 (1985).
13. K. Funken, B. Engels, S. D. Peyerimhoff, and F. Grein, Chem. Phys. Lett. 172, 180 (1990).
14. J. Kong, L. A. Eriksson, and R. J. Boyd, Chem. Phys. Lett. 217, 24 (1994).
15. J. Kong, R. J. Boyd, and L. A. Eriksson, J. Chem. Phys. 102, 3674 (1995).
16. G. W. Hills and J. M. Cook, J. Mol. Spectrosc. 94, 456 (1982).
17. F. B. van Duijneveldt, IBM Res. J. 945, 16437 (1971).
18. D. M. Chipman, Theor. Chim. Acta 82, 93 (1992).
19. D. M. Chipman, Theor. Chim. Acta 76, 73 (1989).
20. D. M. Chipman, J. Chem. Phys. 91, 5455 (1989).
21. S. Huzinaga, J. Chem. Phys. 42, 1293 (1965).
22. C. W. Bauschlicher, Jr., S. R. Langhoff, H. Partridge, and D. P. Chong, J. Chem. Phys. 89, 2985 (1988).
23. B. Engels and S. D. Peyerimhoff. Mol. Phys. 67, 583 (1989).
24. D. Feller, E. D. Glendening, E. A. McCullough, Jr., and R. J. Miller, J. Chem. Phys. 99, 2829 (1993).
25. B. Fernández, P. Jørgensen, and J. Simons, J. Chem. Phys. 98, 3060 (1993).
26. B. Engels, S. D. Peyerimhoff, and E. R. Davidson, Mol. Phys. 62, 109 (1987).
27. D. M. Chipman, Phys. Rev. A 39, 475 (1989).
28. R. J. Cave, S. S. Xantheas, and D. Feller, Theor. Chim. Acta 83, 31 (1992).
29. D. Feller, J. Chem. Phys. 98, 7059 (1993).
30. MELDF-X, L. McMurchie, S. Elbert, S. Langhoff, E. R. Davidson, and D. Feller, The University of Washington, Indiana University, and the Molecular Science Research Centre, 1993.
31. (a) K. Dressier and D. A. Ramsay, Philos. Trans. R. Soc. London, Ser. A 251, 553 (1959);
32. (b) R. D. Brown, F. R. Burden, P. D. Godfrey, and J. R. Gillard, J. Mol. Spectrosc. 25, 301 (1974);
33. (c) R. N. Dixon, G. Duxbury, and D. A. Ramsay, Proc. R. Soc. London, Ser. A 296, 137 (1967).