Correlated wave functions for the ground and some excited states of the iron atom

Journal of Chemical Physics

Volumn 124, Issue 15, 2006, Pages

  Buendia E ^a   Galvez F J ^a   Sarsa, A ^b  

^a UNIVERSITY OF GRANADA   (Spain)

^b UNIVERSITY OF CÓRDOBA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTROMAGNETIC WAVES; ELECTRON TRANSITIONS; GROUND STATE; IONIZATION; NEGATIVE IONS; OPTIMIZATION; PARAMETER ESTIMATION; POSITIVE IONS;

CORRELATED WAVE FUNCTIONS; IRON ATOMS; JASTROW CORRELATION; SYSTEMATIC ANALYSIS;

IRON;

EID: 34547853736     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2192504     Document Type: Article

References (25)

1. B. L. Hammond, W. A. Lester, Jr., and P. J. Reynolds, Monte Carlo Methods in ab initio Quantum Chemistry (World Scientific, Singapore, 1994).
2. S. F. Boys and N. C. Handy, Proc. R. Soc. London, Ser. A 310, 43 (1969).
3. K. E. Schmidt and J. W. Moskowitz, J. Chem. Phys. 93, 4172 (1990).
4. A. Sarsa, F. J. Gálvez, and E. Buendía, J. Chem. Phys. 109, 3346 (1998).
5. R. T. Sharp and G. K. Horton, Phys. Rev. 90, 317 (1953).
6. J. D. Talman and W. F. Shadwick, Phys. Rev. A 14, 36 (1976).
7. A. Sarsa, F. J. Gálvez, and E. Buendía, J. Phys. B 36, 4393 (2003).
8. A. Sarsa, F. J. Gálvez, and E. Buendía, At. Data Nucl. Data Tables 88, 163 (2004).
9. F. J. Gálvez, E. Buendía, and A. Sarsa, J. Chem. Phys. 122, 154307 (2005).
10. F. J. Gálvez, E. Buendía, and A. Sarsa, J. Chem. Phys. 123, 034302 (2005).
11. S. A. Alexander and R. L. Coldwell, J. Chem. Phys. 103, 2572 (1995).
12. F. J. Gálvez, E. Buendía, and A. Sarsa, J. Chem. Phys. 0021-9606 10.1063/1.478470 110, 5721 (1999); F. J. Gálvez, E. Buendía, and A. Sarsa, J. Chem. Phys. 0021-9606 10.1063/1.480485 111, 10903 (1999); F. J. Gálvez, E. Buendía, and A. Sarsa, J. Chem. Phys. 113, 8631 (2000).
13. F. J. Gálvez, E. Buendía, and A. Sarsa, J. Chem. Phys. 0021-9606 10.1063/1.478470 110, 5721 (1999); F. J. Gálvez, E. Buendía, and A. Sarsa, J. Chem. Phys. 0021-9606 10.1063/1.480485 111, 10903 (1999); F. J. Gálvez, E. Buendía, and A. Sarsa, J. Chem. Phys. 113, 8631 (2000).
14. F. J. Gálvez, E. Buendía, and A. Sarsa, J. Chem. Phys. 0021-9606 10.1063/1.478470 110, 5721 (1999); F. J. Gálvez, E. Buendía, and A. Sarsa, J. Chem. Phys. 0021-9606 10.1063/1.480485 111, 10903 (1999); F. J. Gálvez, E. Buendía, and A. Sarsa, J. Chem. Phys. 113, 8631 (2000).
15. T. Yoshida, Y. Mizushima, and K. Igucho, J. Chem. Phys. 89, 5815 (1989).
16. L. Mitas, Phys. Rev. A 49, 4411 (1994).
17. D. M. Ceperley and L. Mitas, in Advances in Chemical Physics, edited by, I. Prigogine, and, S. A. Rice, (Wiley, New York, 1996), Vol. 93, p. 1.
18. Atomic Spectra Database. Version 2.0, National Institute of Standards and Technology (1999); http://physics.nist.gov/cgi-bin/AtData/main_asd
19. Atomic Spectra Database. Version 2.0, National Institute of Standards and Technology (1999); http://physics.nist.gov/cgi-bin/AtData/main_asd
20. S. K. Ghosh and R. G. Parr, J. Chem. Phys. 82, 3307 (1985).
21. M. Levy and J. P. Perdew, Phys. Rev. A 32, 2010 (1985).
22. J. B. Krieger, Y. Li, and G. J. Iafrate, Phys. Lett. A 148, 470 (1990).
23. E. Clementi and C. Roetti, At. Data Nucl. Data Tables 14, 177 (1974).
24. S. Fraga, J. Karwowski, and K. M. S. Sexena, Handbook of Atomic Data, Physical Science Data vol. 5 (Elselvier, New York, 1976).
25. T. Andersen, H. K. Hangen, and H. Hotop, J. Phys. Chem. Ref. Data 28, 1511 (1999).