Adapted Gaussian basis sets for atoms Cs to Lr based on the generator coordinate Hartree-Fock method

Journal of Computational Chemistry

Volumn 19, Issue 8, 1998, Pages 858-865

  Jorge, F E ^a   Librelon, P R ^a   Canal Neto, A ^a  

^a FEDERAL UNIVERSITY OF ESPÍRITO SANTO   (Brazil)

Author keywords

Adapted Gaussian basis sets; Generator coordinate Hartree Fock method; Total energy

Indexed keywords

EID: 0000768811     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(199806)19:8<858::AID-JCC5>3.0.CO;2-O     Document Type: Article

References (21)

1. J. R. Mohallen, R. M. Dreizler, and M. Trsic, Int. J. Quant. Chem. Symp., 20, 45 (1986).
2. J. R. Mohallen and M. Trsic, J. Chem. Phys., 86, 5043 (1986).
3. H. F. M. de Costa, M. Trsic, and J. R. Mohallem, Mol. Phys., 62, 91 (1987).
4. F. E. Jorge, E. V. R. de Castro, and A. B. F. da Silva, Chem. Phys., 216, 317 (1997).
5. F. E. Jorge, E. V. R. de Castro, and A. B. F. da Silva, J. Comput. Chem., 18, 1565 (1997).
6. D. M. Silver and W. C. Nieuwpoort, Chem. Phys. Lett., 57, 421 (1978); D. M. Silver, S. Wilson, and W. C. Nieuwpoort, Int. J. Quant. Chem., 14, 635 (1978).
7. D. M. Silver and W. C. Nieuwpoort, Chem. Phys. Lett., 57, 421 (1978); D. M. Silver, S. Wilson, and W. C. Nieuwpoort, Int. J. Quant. Chem., 14, 635 (1978).
8. J. J. Griffin and J. A. Wheeler, Phys. Rev., 108, 311 (1957).
9. J. R. Mohallem, Z. Phys. D, 3, 339 (1986).
10. G. L. Malli and J. F. Olive, Technical Report, Part 2, Laboratory of Molecular Structure and Spectra, University of Chicago, 1962-1963.
11. C. F. Fischer, In The Hartree-Fock Method for Atoms, John Wiley & Sons, New York, 1977.
12. T. Koga, S. Watanabe, and A. J. Thakkar, Int. J. Quant. Chem., 54, 261 (1995).
13. E. Clementi, S. J. Chakravorty, G. Corongiu, J. R. Flores, and V. Somad, In MOTECC - Modern Techniques in Computational Chemistry, E. Clementi, Ed., ESCOM, Leiden, 1991, p. 58.
14. O. Matsuoka and S. Huzinaga, Chem. Phys. Lett., 140, 567 (1987).
15. S. Okada, M. Shinada, and O. Matsuoka, J. Chem. Phys., 93, 5013 (1990).
16. A. K. Mohanty and E. Clementi, J. Chem. Phys., 93, 1829 (1990).
17. G. L. Malli, A. B. F. Da Silva, and Y. Ishikawa, Phys. Rev. A, 47, 143 (1993).
18. G. L. Malli, A. B. F. Da Silva, and Y. Ishikawa, J. Chem. Phys., 101, 6829 (1994).
19. G. L. Malli, J. Styszynski, and A. B. F. Da Silva, Int. J. Quant. Chem., 55, 213 (1995).
20. J. Styszynski and G. L. Malli, Int. J. Quant. Chem., 55, 227 (1995).
21. G. L. Malli and J. Styszynski, J. Chem. Phys., 101, 10736 (1994).