Highly accurate Gaussian basis sets for the atoms from H through Xe

International Journal of Quantum Chemistry

Volumn 95, Issue 2, 2003, Pages 190-193

  Librelon, P R ^a   Jorge, F E ^a  

^a FEDERAL UNIVERSITY OF ESPÍRITO SANTO   (Brazil)

Author keywords

Gaussian basis sets; Improved generator coordinate Hartree Fock method; Neutral atoms; Total energies

Indexed keywords

ELECTRON ENERGY LEVELS; GROUND STATE; INTEGRAL EQUATIONS; MATHEMATICAL TRANSFORMATIONS; RANDOM PROCESSES;

GAUSSIAN BASIS SETS; HARTREE-FOCK METHOD; INTEGRAL DISCRETIZATION TECHNIQUE; NEUTRAL ATOMS;

ATOMS;

EID: 0141939166     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10671     Document Type: Article

References (22)

1. Froese-Fischer, C. The Hartree-Fock Method for Atoms; Wiley: New York, 1977, Chapter 1.
2. Mohallem, J. R.; Dreizler, R. M.; Trsic, M. Int J Quantum Chem Symp 1986, 20, 45.
3. Mohallem, J. R.; Trsic, M. J Chem Phys 1987, 86, 5043.
4. Custódio, R.; Giordan, M.; Morgon, N. H.; Goddard, J. D. Int J Quantum Chem 1992, 42, 411.
5. Custódio, R.; Goddard, J. D.; Giordan, M.; Morgon, N. H. Can J Chem 1992, 70, 580.
6. Pinheiro, J. C.; da Silva, A. B. F.; Trsic, M. J Mol Struct (Theochem) 1997, 394, 107.
7. Pinheiro, J. C.; da Silva, A. B. F.; Trsic, M. Int J Quantum Chem 1997, 63, 927.
8. Jorge, F. E.; Librelon, P. R.; Canal Neto, A. J Comp Chem 1998, 19, 858.
9. Jorge, F. E.; Muniz, E. P. Int J Quantum Chem 1999, 71, 307.
10. Jorge, F. E.; Aboul Hosn, H. M. Chem Phys 2001, 264, 255.
11. Jorge, F. E.; de Castro, E. V. R. Chem Phys Lett 1999, 302, 454.
12. de Castro, E. V. R.; Jorge, F. E.; Pinheiro, J. C. Chem Phys 1999, 243, 1.
13. Centoducatte, R.; Jorge, F. E.; de Castro, E. V. R. Int J Quantum Chem 2001, 82, 126.
14. Bunge, C. F.; Barrientos, J. A.; Bunge, A. V.; Cogordan, J. A. Phys Rev A 1992, 46, 3691.
15. Mohallem, J. R. Z Phys D 1986, 3, 339.
16. Chakravorty, S. J.; Corongiu, G.; Flores, J. R.; Sonnad, V.; Clementi, E.; Carravetta, V.; Cacelli, I. Clementi, E., Ed. Modern Techniques in Computational Chemistry: MO TECC-89; ESCOM: Leiden, 1989, Chapter 3.
17. Matsuoka, O.; Huzinaga, S. Chem Phys Lett 1987, 140, 567.
18. Jorge, F. E.; Centoducatte, R.; de Castro, E. V. R. Theor Chem Acc 2000, 103, 477.
19. Canal Neto, A.; Jorge, F. E.; Centoducatte, R. Int J Quantum Chem 2002, 90, 244.
20. Okada, S.; Shinada, M.; Matsuoka, O. J Chem Phys 1990, 93, 5013.
21. Mohanty, A. K.; Clementi, E. J Chem Phys 1990, 93, 1829.
22. Malli G. L.; da Silva, A. B. F.; Ishikawa Y. Phys Rev A 1993, 47, 143.