Properties of atoms in molecules from valence-electron densities augmented with core-electron contributions

Chemical Physics Letters

Volumn 255, Issue 4-6, 1996, Pages 315-319

  Cioslowski, Jerzy ^a   Piskorz, Pawel ^a  

^a FLORIDA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0030583036     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/0009-2614(96)00404-6     Document Type: Article

References (17)

1. [1] H. Hellmann, J. Chem. Phys. 3 (1935) 61.
2. [2] G. Frenking, I. Antes, M. Böhme, S. Dapprich, A.W. Ehlers, V. Jonas, A. Neuhaus, M. Otto, R. Stegmann, A. Veldkamp and S.F. Vyboishchikov, in: Reviews in computational chemistry, Vol. 8, eds. D.B. Boyd and K.B. Lipkowitz, (VCH Publishers, New York, 1996) p. 63.
3. [3] J. Cioslowski, in: Reviews in computational chemistry, eds. D.B. Boyd and K.B. Lipkowitz, Vol. 4 (VCH Publishers, New York, 1993) p. 1.
4. [4] M. Ho, H. Schmider, K.E. Edgecombe and V.H. Smith Jr., Intern. J. Quantum Chem. S28 (1994) 215.
5. [5] R.F.W. Bader, Atoms in molecules: a quantum theory, (Clarendon Press, Oxford, 1990).
6. [6] A. Sierraalta and F. Ruette, J. Comput. Chem. 15 (1994) 313.
7. [7] C.F. Bunge, J.A. Barrientos and A.V. Bunge, At. Data Nucl. Data Tables 53 (1993) 113. C.F. Bunge, J.A. Barrientos, A.V. Bunge and J.A. Cogordan, Phys. Rev. A 46 (1992) 3691.
8. [7] C.F. Bunge, J.A. Barrientos and A.V. Bunge, At. Data Nucl. Data Tables 53 (1993) 113. C.F. Bunge, J.A. Barrientos, A.V. Bunge and J.A. Cogordan, Phys. Rev. A 46 (1992) 3691.
9. [8] J. Cioslowski, P. Piskorz, D. Moncrieff and P. Rez, J. Comput. Chem., submitted for publication.
10. [9] A. Sierraalta and S.F. Vyboishchikov, personal communication.
11. [10] J. Cioslowski and A. Nanayakkara, Chem. Phys. Letters 219 (1994) 151.
12. [11] J. Cioslowski and B.B. Stefanov, Mol. Phys. 84 (1995) 707.
13. [12] B.B. Stefanov and J. Cioslowski, J. Comput. Chem. 16 (1995) 1394.
14. [13] J. Cioslowski, A. Nanayakkara and M. Challacombe, Chem. Phys. Letters 203 (1993) 137.
15. [14] 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. Gonzales and J.A. Pople, GAUSSIAN 94 (Gaussian Inc., Pittsburgh PA, 1995).
16. [15] P.J. Hay and W.R. Wadt, J. Chem. Phys. 82 (1985) 299.
17. [16] J. Cioslowski and S.T. Mixon, J. Am. Chem. Soc. 113 (1991) 4142.