Properties of nearly one-electron molecules. I. An iterative Green function approach to calculating the reaction matrix

Journal of Chemical Physics

Volumn 123, Issue 8, 2005, Pages

  Altunata, Serhan N ^a   Coy, Stephen L ^a   Field, Robert W ^a  

^a MASSACHUSETTS INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCIUM MONOFLUORIDE MOLECULES; POLYATOMIC ION CORES; R-MATRIX METHOD; SPHERICAL BOUNDARY SURFACE;

EIGENVALUES AND EIGENFUNCTIONS; ELECTRONIC STRUCTURE; FREE ENERGY; GREEN'S FUNCTION; MOLECULES;

ELECTRON SCATTERING;

EID: 24644452053     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2005017     Document Type: Article

References (43)

1. F. S. Ham, Solid State Phys. 1, 127 (1955).
2. M. J. Seaton, Rep. Prog. Phys. 46, 167 (1983).
3. A. Giusti-Suzor and U. Fano, J. Phys. B 17, 215 (1984).
4. K. Lu and U. Fano, Phys. Rev. A 2, 81 (1970).
5. J. J. Wynne and J. A. Armstrong, IBM J. Res. Dev. 23, 490 (1979).
6. J. Dubau and J. Wells, J. Phys. B 6, 1452 (1973).
7. C. H. Greene, Phys. Rev. A 28, 2209 (1983).
8. W. Kohn, Phys. Rev. 74, 1763 (1948).
9. C. Greene and M. Aymar, Phys. Rev. A 44, 1773 (1991).
10. J. Tennyson and C. J. Noble, J. Phys. B 18, 155 (1985).
11. I. Rabadan and J. Tennyson, J. Phys. B 30, 1975 (1997).
12. M. Hiyama and M. S. Child, J. Phys. B 35, 1337 (2002).
13. M. Telmini and C. Jungen, Phys. Rev. A 68, 062704 (2003).
14. M. Arif, C. Jungen, and A. L. Roche, J. Chem. Phys. 106, 4102 (1997).
15. C. Jungen and O. Atabek, J. Chem. Phys. 66, 5584 (1977).
16. J. M. Berg, J. E. Murphy, N. A. Harris, and R. W. Field, Phys. Rev. A 48, 3012 (1993).
17. D. Dill and J. L. Dehmer, J. Chem. Phys. 61, 692 (1974).
18. C. H. Greene, A. R. P. Rau, and U. Fano, Phys. Rev. A 26, 2441 (1982); for errata see Ref.. This is Paper II. Paper I is Ref..
19. C. H. Greene, A. R. P. Rau, and U. Fano, Phys. Rev. A 26, 2441 (1982); for errata see Ref.. This is Paper II. Paper I is Ref..
20. C. H. Greene, A. R. P. Rau, and U. Fano, Phys. Rev. A 30, 3321 (1984).
21. C. Jungen and A. Roche, Can. J. Phys. 79, 287 (2001).
22. A. Szabo and N. S. Ostlund, Modern Quantum Chemistry: Introduction to Electronic Structure Theory (McGraw-Hill, New York, 1989).
23. S. N. Altunata, S. L. Coy, and R. W. Field, J. Chem. Phys. 123, 084319 (2005), following paper.
24. R. G. Newton, Scattering Theory of Particles and Waves (Springer, New York, 1982).
25. U. Fano, Phys. Rev. A 17, 93 (1978).
26. N. Y. Du and C. H. Greene, Phys. Rev. A 36, 971 (1987).
27. A. W. Flifet and V. McKoy, Phys. Rev. A 18, 1048 (1978).
28. R. R. Lucchese and V. McKoy, Phys. Rev. A 21, 112 (1980).
29. J. V. Noble, Phys. Rev. 161, 945 (1967).
30. N. Maleki, Phys. Rev. A 29, 2470 (1984).
31. C. H. Greene, Phys. Rev. A 22, 149 (1980).
32. C. Jungen and F. Texier, J. Phys. B 33, 2495 (2000).
33. J. Dubau, J. Phys. B 11, 4095 (1978).
34. M. Abramowitz and I. Stegun, Handbook of Mathematical Functions (U.S. Department of Commerce, National Bureau of Standard, Washington, DC, 1970).
35. U. Fano and C. Lee, Phys. Rev. Lett. 31, 1573 (1973).
36. E. Zeidler, Applied Functional Analysis (Springer, New York, 1991).
37. A. B. Samokhin, Integral Equations and Iteration Methods in Electromagnetic Scattering (VSP, Netherlands, 2001).
38. M. J. Seaton, J. Phys. B 11, 4067 (1978).
39. C. H. Greene, U. Fano, and G. Strinati, Phys. Rev. A 19, 1485 (1979).
40. H. Lefebvre-Brior and R. W. Field, Perturbations in the Spectra of Diatomic Molecules (Academic, New York, 1986).
41. R. W. Field, C. M. Gittins, N. A. Harris, and C. Jungen, J. Chem. Phys. 122, 184314 (2005).
42. G. Strang, Introduction to Applied Mathematics (Wellesley-Cambridge, Wellesley, MA, 1996).
43. J. E. Murphy, J. M. Berg, A. J. Merer, N. A. Harris, and R. W. Field, Phys. Rev. Lett. 65, 1861 (1990).