Chemistry with ADF

Journal of Computational Chemistry

Volumn 22, Issue 9, 2001, Pages 931-967

  te Velde, G ^a   Bickelhaupt, F M ^b   Baerends, E J ^b   Fonseca Guerra, C ^b   van Gisbergen, S J A ^b   Snijders, J G ^c   Ziegler, T ^d  

^a Paragon Decision Technology BV   (Netherlands)

^b VU UNIVERSITY AMSTERDAM   (Netherlands)

^c UNIVERSITY OF GRONINGEN   (Netherlands)

^d UNIVERSITY OF CALGARY   (Canada)

Author keywords

ADF program; Chemical bond; Density functional theory; Materials science; Reactivity

Indexed keywords

EID: 20644438873     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.1056     Document Type: Article

References (6)

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2. Dreizler, R. M.; Gross, E. K. U. Density Functional Theory, an Approach to the Quantum Many-Body Problem; Springer Verlag: Berlin, 1990.
3. Ellis, D. E., Ed. Electronic Density Functional Theory of Molecules, Clusters and Solids; Kluwer Academic Publishers: Dordrecht, 1995.
4. Dunitz, J. D.; Hafner, K.; Houk, K. N.; Ito, S.; Lehn, J.-M.; Raymond, K. N.; Rees, C. W.; Thiem, J.; Vögtle, F., Eds. Topics in Current Chemistry; Springer: Berlin, 1996, vol. 183.
5. Seminario, J. M., Ed. Recent Developments and Applications of Modem Density Functional Theory; Elsevier: Amsterdam, 1996.
6. Baerends, E. J.; Ellis, D. E.; Ros, P. Chem Phys 1973, 2, 41.