Divergent behavior of Møller-Plesset perturbation theory for molecular electric dipole and quadrupole moments

Journal of Chemical Physics

Volumn 110, Issue 15, 1999, Pages 7127-7128

  Halkier, Asger ^a   Larsen, Helena ^a   Olsen, Jeppe ^a   Jørgensen, Poul ^a  

^a AARHUS UNIVERSITY   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001150282     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.478663     Document Type: Article

References (15)

1. J. Olsen, O. Christiansen, H. Koch, and P. Jørgensen, J. Chem. Phys. 105, 5082 (1996).
2. O. Christiansen, J. Olsen, P. Jørgensen, H. Koch, and P.-Å. Malmqvist, Chem. Phys. Lett. 261, 369 (1996).
3. C. Møller and M. S. Plesset, Phys. Rev. 46, 618 (1934).
4. D. Cremer and Z. He, J. Phys. Chem. 100, 6173 (1996).
5. T. H. Dunning and K. A. Peterson, J. Chem. Phys. 108, 4761 (1998).
6. A. Halkier, H. Koch, O. Christiansen, P. Jørgensen, and T. Helgaker, J. Chem. Phys. 107, 849 (1997).
7. H. Larsen, A. Halkier, J. Olsen, and P. Jørgensen (unpublished).
8. A. D. Buckingham, Adv. Chem. Phys. 12, 107 (1967).
9. K. P. Huber and G. H. Herzberg, Molecular Spectra and Molecular Structure. Constants of Diatomic Molecules (Van Nostrand-Reinhold, New York, 1979).
10. T. H. Dunning, J. Chem. Phys. 90, 1007 (1989).
11. R. A. Kendall, T. H. Dunning, and R. J. Harrison, J. Chem. Phys. 96, 6796 (1992).
12. LUCIA, a full CI, restricted active space CI program by J. Olsen, Lund.
13. A. Halkier, H. Larsen, J. Olsen, P. Jørgensen, and J. Gauss, J. Chem. Phys. 110, 734 (1999).
14. G. D. Purvis and R. J. Bartlett, J. Chem. Phys. 76, 1910 (1982).
15. K. Raghavachari, G. W. Trucks, J. A. Pople, and M. Head-Gordon, Chem. Phys. Lett. 157, 479 (1989).