Approximate ab initio calculations of polarizabilities via the excitation scheme

Chemical Physics Letters

Volumn 265, Issue 1-2, 1997, Pages 65-70

  Bouř, Petr ^a  

^a INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0031592409     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(96)01392-9     Document Type: Article

References (18)

1. [1] L.D. Barron, Molecular Light Scattering and Optical Activity (Cambridge Univ. Press, Cambridge, 1982).
2. [2] M.J. Cohen, A. Willetts, R.D. Amos and N.C. Handy, J. Chem. Phys. 100 (1994) 4467.
3. [3] J.A. Pople, R. Krishnan, H.B. Schlegel and J.S. Binkley, Int. J. Quant. Chem: Quant. Chem. Symp. 13 (1979) 225.
4. [4] R.D. Amos, Adv. Chem. Phys. 67 (1987) 99.
5. [5] M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T.A. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. AlLaham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, J. Ciolkowski, B.B. Stefanov, A. Nanayakkara, M. Challacombe, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. DeFrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez and J.A. Pople, Gausian 94, Revision D. I (Gaussian, Inc., Pittsburgh, PA, 1995).
6. [6] R.D. Amos and J.E. Rice, CADPAC 5 (Cambridge, 1992).
7. [7] A. Szabo and N.S. Ostlund, Modern Quantum Chemistry, (McGraw-Hill Publishing Company, 1989).
8. [8] A.D. Becke, Phys. Rev. A38 (1989) 3098.
9. [9] C. Lee, W. Yang and R.G. Parr, Phys. Rev. B 37 (1988) 785.
10. [10] R.G. Parr and W. Yang, Density Functional Theory of Atoms and Molecules, (Oxford Univ. Press, New York, 1989).
11. [11] Handbook of Chemistry and Physics, ed. D.R. Lide, (CRC Press, Boca Raton, FL, 1994).
12. [12] A.D. Buckingham, Physical Chemistry, Vol. 2, (University Park Press, Butterworths, 1972).
13. [13] C.N. Tam, P. Bouř and T.A. Keiderling, J. Am. Chem. Soc. (1996), accepted for publication.
14. [14] S.J.A. van Gisbergen, V.P. Osinga, O.V. Gritsenko, R. Van Leeuwen, J.G. Snijders and E.J. Baerends, J. Chem. Phys. 105 (1996) 3142.
15. [15] B. Shanker and J. Applequist, J. Phys. Chem. 100 (1996) 3879.
16. [16] C-G. Le Fevre, R.J.V. Le Fevre, R.P. Rao and M.R. Smith, J. Chem. Soc. (1959) 1188.
17. [17] C. Huiszoon, Mol. Phys. 38 (1979) 577.
18. [18] V.G. Malkin, O.L. Malkina, L.A. Eriksson and D.R. Salahub in Modern Density Functional Theory, eds. J.M. Seminario and P. Politzer, (Elsevier, Amsterdam, 1995), p. 273.