A modified version of the electron localization function (ELF)

International Journal of Quantum Chemistry

Volumn 69, Issue 4, 1998, Pages 559-565

  Fuentealba, P ^a  

^a UNIVERSITY OF CHILE   (Chile)

Author keywords

Density functional theory; Electron localization

Indexed keywords

EID: 0001376427     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(1998)69:4<559::AID-QUA13>3.0.CO;2-V     Document Type: Article

References (12)

1. A. D. Becke and K. E. Edgecombe, J. Chem. Phys. 92, 5397 (1990).
2. M. Kohout and A. Savin, Int. J. Quantum Chem. 60, 875 (1996).
3. A. Savin, O. Jepsen, J. Flad; O. K. Andersen, H. Preuss, and H. G. von Schnering, Angew. Chem. 104, 187 (1992); Ibid., Angew. Chem., Int. Ed. Engl. 31, 187 (1992).
4. A. Savin, O. Jepsen, J. Flad; O. K. Andersen, H. Preuss, and H. G. von Schnering, Angew. Chem. 104, 187 (1992); Ibid., Angew. Chem., Int. Ed. Engl. 31, 187 (1992).
5. B. Silvi and A. Savin, Nature 371, 683 (1994).
6. S. R. Gadre, S. A. Kulkarni, and R. K. Pathak, J. Chem. Phys. 98, 3574 (1993).
7. M. Levy and J. P. Perdew, Phys. Rev. A 32, 2010 (1985).
8. P. Fuentealba, J. Phys. B 30, 2039 (1997).
9. A. Becke, Phys. Rev. A 38, 3098 (1988).
10. Z. Yang, S. Liu, and Y. A. Wang, Chem. Phys. Lett. 258, 30 (1996).
11. E. Clementi and C. Roetti, At. Dat. Nucl. Dat. Tab. 14, 177 (1974).
12. C. Bunge, J. Barrientos, and A. Bunge, At. Dat. Nucl. Dat. Tab. 53, 113 (1993).