Symmetry handling in calculations of properties of atoms in molecules

Chemical Physics Letters

Volumn 256, Issue 4-5, 1996, Pages 449-453

  Cioslowski, Jerzy ^a   Stefanov, Boris B ^a  

^a FLORIDA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0030570297     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/0009-2614(96)00451-4     Document Type: Article

References (17)

1. [1] P.D. Dacre, Chem. Phys. Letters 7 (1970) 47.
2. [2] M. Elder, Intern. J. Quantum Chem. 7 (1973) 75.
3. [3] M. Dupuis and H.F. King, Intern. J. Quantum Chem. 11 (1977) 613.
4. [4] M. Dupuis and H.F. King, J. Chem. Phys. 68 (1978) 3998.
5. [5] T. Takada, M. Dupuis and H.F. King, J. Chem. Phys. 75 (1981) 332.
6. [6] J. Cioslowski, Ab initio calculations on large molecules: methodology and applications, in: Reviews in computational chemistry, Vol. 4, eds. D.B. Boyd and K.B. Lipkowitz (VCH Publishers, New York, 1993) p. 1.
7. [7] J. Cioslowski, Electronic structure calculations on fullerenes and their derivatives (Oxford Univ. Press, New York, 1995).
8. [8] R.F.W. Bader, Atoms in molecules: a quantum theory (Clarendon Press, Oxford, 1990).
9. [9] J. Cioslowski and A. Nanayakkara, Chem. Phys. Letters 219 (1994) 151.
10. [10] J. Cioslowski and B.B. Stefanov, Mol. Phys. 84 (1995) 707.
11. [11] B.B. Stefanov and J. Cioslowski, J. Comput. Chem. 16 (1995) 1394.
12. [12] J. Cioslowski, A. Nanayakkara and M. Challacombe, Chem. Phys. Letters 203 (1993) 137.
13. [13] J. Cioslowski, Mol. Phys., in press.
14. [14] J. Cioslowski and B.B. Stefanov, J. Chem. Phys., submitted for publication.
15. [15] F.W. Biegler-König, R.F.W. Bader and T.H. Tang, J. Comput. Chem. 3 (1982) 317.
16. [16] 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. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, J. Cioslowski, 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.J.P. Stewart, M. Head-Gordon, C. Gonzalez and J.A. Pople, GAUSSIAN 94 (Gaussian, Inc., Pittsburgh PA, 1995).
17. [17] T. Boustrani, W. Pewestorf, P. Fantucci, V. Bonacic-Koutecky and J. Koutecky, Phys. Rev. B 35 (1987) 9437.