Basis set and electron correlation effects on the first and second static hyperpolarizability of SO2

Chemical Physics Letters

Volumn 319, Issue 5-6, 2000, Pages 618-624

  Xenides, Demetrios ^a   Maroulis, George ^a  

^a UNIVERSITY OF PATRAS   (Greece)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001495775     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(00)00197-4     Document Type: Article

References (33)

1. S. Kielich, Nonlinear Molecular Optics, Naukowe, Warsaw, 1977 (in Polish).
2. Shelton D.P., Rice J.E. Chem. Rev. 94:1994;3.
3. S.P. Karna, A.T. Yeates (Eds.), Nonlinear Optical Materials Theory and Modeling, Am. Chem. Soc., Washington, DC, 1996.
4. H.S. Nalwa, S. Miyata (Eds.), Nonlinear Optics of Organic Molecules and Polymers, CRC Press, Boca Raton, FL, 1997.
5. A.D. Buckingham, in: B. Pullman (Ed.), Intermolecular Interactions: From Diatomics to Biopolymers, Wiley, New York, 1978, p. 1.
6. Ruocco G., Sampoli M. Mol. Phys. 82:1994;875.
7. Hasanein A.A. Adv. Chem. Phys. 85:1993;415.
8. Bishop D.M. Adv. Quantum Chem. 25:1994;2.
9. Luo Y., Ågren H., Jørgensen P., Mikkelsen K.V. Adv. Quantum Chem. 26:1995;165.
10. Gentle I.R., Laver D.R., Ritchie G.L.D. J. Phys. Chem. 94:1990;3434.
11. Maroulis G. Chem. Phys. Lett. 189:1992;112.
12. Maroulis G. Chem. Phys. Lett. 289:1998;403.
13. Maroulis G. J. Chem. Phys. 111:1999;6846.
14. Maroulis G. J. Chem. Phys. 108:1998;5432.
15. A. Szabo, N.S. Ostlund, Modern Quantum Chemistry, Mcmillan, New York, 1982.
16. Urban M., Cernusak I., Kellö V., Noga J. Methods Comput. Chem. 1:1987;117.
17. Bartlett R.J. Annu. Rev. Phys. Chem. 32:1981;359.
18. Paldus J., Li X. Adv. Chem. Phys. 110:1999;1.
19. Schäfer A., Huber C., Ahlrichs R. J. Chem. Phys. 100:1994;5829.
20. Maroulis G. Chem. Phys. Lett. 312:1999;255.
21. Koga T., Sato M., Hoffmeyer R.E., Thakkar A.J. J. Mol. Struct. (Theochem). 306:1994;249.
22. H. Partridge, Near Hartree-Fock Quality Gaussian Type Orbital Basis Sets for the Second-row Atoms, NASA Tech. Mem. 89449, May 1987.
23. H. Partridge, Near Hartree-Fock Quality Gaussian Type Orbital Basis Sets for the First- and Third-row Atoms, NASA Tech. Mem. 101044, Jan. 1989.
24. Saito S. J. Mol. Spectrosc. 30:1969;1.
25. M.J. Frisch et al., GAUSSIAN 94, Revision E.1, Gaussian, Inc., Pittsburgh, PA, 1995.
26. van Gisbergen S.J.A., Osinga V.P., Gritsenko O.V., van Leeuwen R., Snijders J.G., Baerends E.J. J. Chem. Phys. 105:1996;3142.
27. Dalskov E.K., Sauer S.P.A. J. Phys. Chem. A. 102:1998;5269.
28. van Caillie C., Amos R.D. Chem. Phys. Lett. 291:1998;71.
29. Cohen A.J., Tantirungrotechai Y. Chem. Phys. Lett. 299:1999;465.
30. Patel D., Margolese D., Dyke T.R. J. Chem. Phys. 70:1979;2740.
31. Kumar A., Meath W.J. Can. J. Phys. 63:1985;417.
32. Murphy W.F. J. Raman Spectrosc. 11:1981;339.
33. Feng R., Cooper G., Burton G.R., Brion C.E., Avaldi L. Chem. Phys. 240:1999;371.