A Gaussian Implementation of Yang's Divide-and-Conquer Density-Functional Theory Approach

ACS Symposium Series

Volumn 629, Issue , 1996, Pages 70-84

  St Amant, Alain ^a  

^a UNIVERSITY OF OTTAWA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 1542683918     PISSN: 00976156     EISSN: None     Source Type: Book Series    
DOI: 10.1021/bk-1996-0629.ch005     Document Type: Article

References (11)

1. Parr, R. G.; Yang, W. Density-Functional Theory of Atoms and Molecules; Oxford University Press: New York, 1989.
2. Density Functional Methods in Chemistry; Labanowski, J. K., Andzelm, J. W., Eds.; Springer-Verlag: New York, 1991.
3. Yang, W. J. Mol. Struct. (THEOCHEM) 1992, 225, 461.
4. Delley, B. J. Chem. Phys. 1990, 92, 508.
5. Dunlap, B. I.; Connolly, J. W. D.; Sabin, J. R. J. Chem. Phys. 1979, 71, 3396.
6. Andzelm, J.; Wimmer, E. J. Chem. Phys. 1992, 96, 1280.
7. DeFT and related documentation is distributed free of charge from the Ohio Supercomputing Center archives (http://www.osc.edu/ccl/cca.html).
8. Kohn, W.; Sham, L. J. Phys. Rev. A 1965, 140, 1133.
9. Godbout, N.; Salahub, D. R.; Andzelm, J.; Wimmer, E. Can. J. Chem. 1992, 70, 560.
10. White, C. A.; Johnson, B. G.; Gill, P. M. W.; Head-Gordon, M. Chem. Phys. Lett. 1994, 230, 8.
11. St-Amant, A., in Reviews in Computational Chemistry: Volume 7; Lipkowitz, K. B., Boyd, D. B., Eds.: VCH Publishers: New York, 1995.