Jastrow correlations and near degeneracy effects in neutral atoms and cations with 3 ≤ Z ≤ 36

Chemical Physics Letters

Volumn 436, Issue 4-6, 2007, Pages 352-356

  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

COMPUTER SIMULATION; CORRELATION METHODS; GROUND STATE; IONIZATION; MATHEMATICAL MODELS; MONTE CARLO METHODS; POSITIVE IONS;

JASTROW CORRELATIONS; NEAR DEGENERACY EFFECTS; NEUTRAL ATOMS; WAVE FUNCTIONS;

ATOMIC PHYSICS;

EID: 33847335497     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2007.01.072     Document Type: Article

References (35)

1. Buendía E., Gálvez F.J., and Sarsa A. Chem. Phys. Lett. 428 (2006) 241
2. Schmidt K.E., and Moskowitz J.W. J. Chem. Phys. 93 (1990) 4172
3. Moskowitz J.W., and Schmidt K.E. J. Chem. Phys. 97 (1992) 3382
4. Hammond B.L., Lester Jr. W.A., and Reynolds P.J. Monte Carlo Methods in Ab Initio Quantum Chemistry (1994), World Scientific, Singapore
5. Flad H.-J., Caffarel M., and Savin A. In: Lester Jr. W.A. (Ed). Recent Advances in Quantum Monte Carlo Methods (1997), World Scientific, Singapore
6. Huang C.-J., Umrigar C.J., and Nightingale M.P. J. Chem. Phys. 107 (1997) 3007
7. Langfelder P., Rothstein S.M., and Vrik J. J. Chem. Phys. 107 (1997) 8525
8. Filipi C., and Fahy S. J. Chem. Phys. 112 (2000) 3523
9. Lin X., Zhang H., and Rappe A.M. J. Chem. Phys. 112 (2000) 2650
10. Gálvez F.J., Buendía E., and Sarsa A. J. Chem. Phys. 115 (2001) 1166
11. Umezawa N., Tsuneyuki S., Ohno T., Shiraishi K., and Chikyow T. J. Chem. Phys. 122 (2005) 224101
12. Yoshida T., Mizushima Y., and Igucho K. J. Chem. Phys. 89 (1989) 5815
13. Mitas L. Phys. Rev. A 49 (1994) 4411
14. D.M. Ceperley, L. Mitas, in: I. Prigogine, S.A. Rice (Eds.), Advances in Chemical Physics, XCIII, 1996, p. 1.
15. Casula M., and Sorella S. J. Chem. Phys. 119 (2003) 6500
16. Buendía E., Gálvez F.J., and Sarsa A. J. Chem. Phys. 124 (2006) 154101
17. Ma A., Drummond N.H., Towler M.D., and Needs R.J. Phys. Rev. E 71 (2005) 066704
18. Caffarel M., Daudey J.P., Heully J.L., and Ramírez-Solís A. J. Chem. Phys. 123 (2005) 094102
19. Boys S.F., and Handy N.C. Proc. R. Soc. London A 310 (1969) 43
20. Sarsa A., Gálvez F.J., and Buendía E. J. Phys. B 36 (2003) 4393
21. Sarsa A., Gálvez F.J., and Buendía E. At. Data Nucl. Data Tables 88 (2004) 163
22. Sharp R.T., and Horton G.K. Phys. Rev. 90 (1953) 317
23. Talman J.D., and Shadwick W.F. Phys. Rev. A 14 (1976) 36
24. Koga T., Tatewaki H., and Thakkar A.J. J. Chem. Phys. 100 (1994) 8140
25. Chakravorty S.J., Gwaltney S.R., Davidson E.R., Parpia F.A., and Froese Fischer C. Phys. Rev. A 47 (1993) 3649
26. Arias de Saavedra F., Buendía E., and Gálvez F.J. J. Phys. B 27 (1994) 4433
27. Clementi E., and Hofmann D.W.M. J. Mol. Struct. (Theochem) 330 (1995) 17
28. Koga T., Aoki H., García de la Vega J.M., and Tatewaki H. Theor. Chem. Acc. 96 (1997) 248
29. W.C. Martin, A. Musgrove, S. Kotochigova, J.E. Sansonetti, Ground levels and ionization energies for the neutral atoms, NIST Physics Laboratory website. .
30. Russo T.V., Martin R.L., and Hay P.J. J. Chem. Phys. 101 (1994) 7729
31. Eliav E., Kaldor U., and Ishikawa Y. Phys. Rev. A 50 (1994) 1121
32. Gdanitz R.J. J. Chem. Phys. 109 (1998) 9795
33. Osanai Y., Ishikawa H., Miura N., and Noro T. Theor. Chem. Acc. 105 (2001) 437
34. Johnson E., Fricke B., Jacob T., Dong C.Z., Fritzsche S., and Pershina V. J. Chem. Phys. 116 (2002) 1862
35. Drummond N.D., López Ríos P., Ma A., Trail J.R., Spink G.G., Towler M.D., and Needs R.J. J. Chem. Phys. 124 (2006) 224104