A modified one-center method for molecular electronic structure calculation: An application to H2+

Modern Physics Letters B

Volumn 18, Issue 2-3, 2004, Pages 113-119

  Ting Yun, Shi ^a   Zhan Jun, Zhang ^a   Bai Wen, Li ^a,b  

^a Wuhan National Laboratory for Optoelectronics   (China)

^b CCAST WORLD LABORATORY   (China)

Author keywords

B spline; Hydrogen molecular ion; One center method

Indexed keywords

HYDROGEN;

ARTICLE; CALCULATION; ELECTRICITY; ELECTROCHEMISTRY; ELECTRON; ENERGY; EQUILIBRIUM CONSTANT; STRUCTURE ANALYSIS;

EID: 14244268319     PISSN: 02179849     EISSN: None     Source Type: Journal    
DOI: 10.1142/S0217984904006743     Document Type: Article

References (26)

1. A. C. Hurley, Introduction to the Electron Theory of Small Molecules (Academic, London, 1976).
2. P. G. Burke, N. Chandra and F. A. Gianturco, J. Phys. B5 (1972) 2212.
3. I. Cacelli, R. Moccia and A. Rizzo, J. Chem. Phys. 98 (1993) 8742.
4. I. Cacelli, V. Carravetta and R. Moccia, J. Chem. Phys. 85 (1986) 7038.
5. H. H. Kranz and E. O. Steinborn, Phys. Rev. A25 (1982) 66.
6. M. Brosolo, P. Decleva and A. Lisini, J. Phys. B25 (1992).
7. M. Brosolo and P. Decleva, Chem. Phys. 159 (1992) 185.
8. I. Sanchez and F. Martin, Phys. Rev. Lett. 79 (1997) 1654.
9. I. Sanchez and F. Martin, Phys. Rev. A60 (1999) 2200.
10. F. Martin, J. Phys. B32 (1999) R197; H. Bachan et al., Rep. Prog. Phys. 64 (2001) 1815.
11. F. Martin, J. Phys. B32 (1999) R197; H. Bachan et al., Rep. Prog. Phys. 64 (2001) 1815.
12. M. Venuti, M. Stener and P. Decleva, Chem. Phys. 234 (1998) 95.
13. P. Decleva, G. De Alti, G. Fronzoni and M. Stener, J. Phys. B32 (1999) 4523.
14. J. H. Xi, L. J. Wu, X. H. He and B. W. Li, Phys. Rev. A46 (1992) 5806.
15. H. X. Qiao and B. W. Li, Phys. Rev. A60 (1999) 3136.
16. T. Y. Shi, H. X. Qiao and B. W. Li, J. Phys. B33 (2000) L349.
17. B. H. Wells and S. Wilson, J. Phys. B22 (1989) 1285.
18. M. Brosolo, P. Decleva and A. Lisini, Chem. Phys. Lett. 203 (1993).
19. L. Laaksonen, P. Pyykko and D. Sundholm, Int. J. Quantum Chem. 23 (1983) 309.
20. C. deBoor, A Practical Guide to Splines (Springer, New York, 1978).
21. D. R. Bates, K. Ledsham and A. L. Stewart, Phil. Trans. R. Soc. A246 (1953) 215.
22. B. Pons, Phys. Rev. Lett. 84 (2000) 4569.
23. B. Pons, Phys. Rev. A63 (2001) 012704.
24. A. Igarashi, Phys. Rev. A61 (2000) 062712.
25. N. Thoshima, Phys. Rev. A64 (2001) 024701.
26. J. Azuma, N. Tishima, K. Hino and A. Igarashi, Phys. Rev. A64 (2001) 062704.