Polarizabilities and first hyperpolarizabilities of HF, Ne, and BH from full configuration interaction and coupled cluster calculations

Journal of Chemical Physics

Volumn 111, Issue 5, 1999, Pages 1917-1925

  Larsen, Helena ^a   Olsen, Jeppe ^a   Hättig, Christof ^a   Jørgensen, Poul ^a   Christiansen, Ove ^b   Gauss, Jürgen ^b  

^a AARHUS UNIVERSITY   (Denmark)

^b JOHANNES GUTENBERG UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001569772     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.479460     Document Type: Article

References (28)

1. P. Siegbahn, Chem. Phys. Lett. 109, 417 (1984).
2. P. J. Knowles and N. C. Handy, Chem. Phys. Lett. 111, 315 (1984).
3. J. Olsen, B. O. Roos, P. Jørgensen, and H. J. Aa. Jensen, J. Chem. Phys. 89, 2185 (1988).
4. J. Olsen, P. Jørgensen, and J. Simons, Chem. Phys. Lett. 169,463 (1990).
5. C. W. Bauschlicher, S. R. Langhoff, P. R. Taylor, and H. Partridge, Chem. Phys. Lett. 126, 436 (1986).
6. C. W. Bauschlicher, S. R. Langhoff, P. R. Taylor, N. C. Handy, and P. J. Knowles, J. Chem. Phys. 85, 1469 (1986).
7. H. Koch, O. Christiansen, P. Jørgensen, and J. Olsen, Chem. Phys. Lett. 244, 75 (1995).
8. O. Christiansen, H. Koch, and P. Jørgensen, Chem. Phys. Lett. 243, 409 (1995).
9. H. Koch, O. Christiansen, P. Jørgensen, A. M. Sanchez de Meras, and T. Helgaker, J. Chem. Phys. 106, 1808 (1997).
10. O. Christiansen, H. Koch, P. Jørgensen, and J. Olsen, Chem. Phys. Lett. 256, 185 (1996).
11. H. Larsen, C. Hättig, J. Olsen, and P. Jørgensen, Chem. Phys. Lett. 291, 536 (1998).
12. O. Christiansen, C. Hättig, and J. Gauss, J. Chem. Phys. 109, 4745 (1998).
13. O. Christiansen, J. Gauss, and J. F. Stanton, Chem. Phys. Lett. 292, 437 (1998).
14. C. Hättig and P. Jørgensen, J. Chem. Phys. 109, 2762 (1998).
15. O. Christiansen, J. Gauss, and J. F Stanton, Chem. Phys. Lett. 305, 147 (1999).
16. J. Gauss, O. Christiansen, and J. F. Stanton, Chem. Phys. Lett. 296, 117 (1998).
17. M. Jaszuński, P. Jørgensen, and H. J. Aa. Jensen, Chem. Phys. Lett. 191, 293 (1992).
18. H. Sekino and R. J. Bartlett, J. Chem. Phys. 98, 3022 (1993).
19. T. H. Dunning, J. Chem. Phys. 90, 1007 (1989).
20. R. A. Kendall, T. H. Dunning, and R. J. Harrison, J. Chem. Phys. 96, 6796 (1992).
21. D. E. Woon and T. H. Dunning, J. Chem. Phys. 100, 2975 (1994).
22. LUCIA, a full CI, restricted active space CI program by J. Olsen, Aarhus, with contributions from H. Larsen.
23. An electronic structure program, Release 1.0 (1997) written by T. Hel-gaker et al.
24. J. F. Stanton, J. Gauss, J. D. Watts, W. J. Lauderdale, and R. J. Bartlett, Int. J. Quantum Chem., Symp. 26, 879 (1992).
25. O. Christiansen, A. Halkier, H. Koch, P. Jørgensen, and T. Helgaker, J. Chem. Phys. 108, 2801 (1998).
26. C. Hättig, O. Christiansen, H. Koch, and P. Jørgensen, Chem. Phys. Lett. 269, 428 (1997).
27. J. Olsen, O. Christiansen, H. Koch, and P. Jørgensen, J. Chem. Phys. 105, 5082 (1996).
28. D. M. Bishop and B. Kirtman, J. Chem. Phys. 95, 2646 (1991).