Improved ab initio relativistic zeroth-order regular approximation correct to order 1/c2

Journal of Chemical Physics

Volumn 113, Issue 22, 2000, Pages 9957-9965

  Klopper, Wim ^a   Van Lenthe, Joop H ^a   Hennum, Alf C ^a,b  

^a UTRECHT UNIVERSITY   (Netherlands)

^b UNIVERSITY OF OSLO   (Norway)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; GAS DYNAMICS; MATHEMATICAL MODELS; PERTURBATION TECHNIQUES; POLARIZATION; QUANTUM THEORY;

ELECTRIC DIPOLE POLARIZATIONS; ZEROTH ORDER REGULAR APPROXIMATION (ZORA);

ATOMIC PHYSICS;

EID: 0034506637     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1323266     Document Type: Article

References (27)

1. E. van Lenthe, E. J. Baerends, and J. G. Snijders, J. Chem. Phys. 99, 4597 (1993).
2. E. van Lenthe, E. J. Baerends, and J. G. Snijders, J. Chem. Phys. 101, 9783 (1994).
3. E. van Lenthe, A. van der Avoird, and P. E. S. Wormer, J. Chem. Phys. 108, 4783 (1998).
4. K. G. Dyall and E. van Lenthe, J. Chem. Phys. 111, 1366 (1999).
5. E. van Lenthe, A. Ehlers, and E. J. Baerends, J. Chem. Phys. 110, 8943 (1999).
6. E. van Lenthe and E. J. Baerends, J. Chem. Phys. 112, 8279 (2000).
7. C. Chang, M. Pélissier, and P. Durand, Phys. Scr. 34, 394 (1986).
8. J.-L. Heully, I. Lindgren, E. Lindroth, S. Lundqvist, and A.-M. Mârtensson-Pendrill, J. Phys. B 19, 2799 (1986).
9. C. van Wüllen, J. Chem. Phys. 109, 392 (1998).
10. S. Faas, J. G. Snijders, J. H. van Lenthe, E. van Lenthe, and E. J. Baerends, Chem. Phys. Lett. 246, 632 (1995).
11. C. van Wüllen, J. Comput. Chem. 20, 51 (1999).
12. P. H. T. Philipsen, E. van Lenthe, J. G. Snijders, and E. J. Baerends, Phys. Rev. B 56, 13556 (1997).
13. F. Wang, G. Hong, and L. Li, Chem. Phys. Lett. 316, 318 (2000).
14. L. L. Foldy and S. A. Wouthuysen, Phys. Rev. 78, 29 (1950).
15. W. Kutzelnigg, Z. Phys. D: At., Mol. Clusters 15, 27 (1990).
16. S. Faas, J. H. van Lenthe, A. C. Hennum, and J. G. Snijders, J. Chem. Phys. 113, 4052 (2000).
17. S. Faas, J. H. van Lenthe, and J. G. Snijders, Mol. Phys. 98, 1467 (2000).
18. S. Faas, Ph.D. thesis, Utrecht University, The Netherlands, 2000.
19. W. Klopper, SORE program (unpublished).
20. W. Kutzelnigg, J. Chem. Phys. 110, 8283 (1999).
21. W. Klopper, J. Comput. Chem. 18, 20 (1997).
22. T. Saue, T. Enevoldsen, T. Helgaker, H. J. Aa. Jensen, J. Lærdahl, K. Ruud, J. Thyssen, and L. Visscher, DIRAC, a relativistic ab initio electronic structure program, Release 3.1, 1998.
23. R. Ahlrichs and K. May, Phys. Chem. Chem. Phys. 2, 943 (2000).
24. W. Klopper and W. Kutzelnigg, J. Chem. Phys. 94, 2020 (1991).
25. T. van Mourik, Ph.D. thesis, Utrecht University, The Netherlands, 1994.
26. J. H. van Lenthe, S. Faas, and J. G. Snijders, Chem. Phys. Lett. 328, 107 (2000).
27. J. van de Bovenkamp and F. B. van Duijneveldt, Chem. Phys. Lett. 309, 287 (1999).