General References

When you publish results in the scientific literature that were obtained with programs of the ADF package, you are required to include references to the program package with the appropriate release number, and a few key publications:

For calculations with the molecular ADF code, version 2004.01:

1. G. te Velde, F.M. Bickelhaupt, S.J.A. van Gisbergen, C. Fonseca Guerra, E.J. Baerends, J.G. Snijders, T. Ziegler, 'Chemistry with ADF', J. Comput. Chem. 22, 931-967 (2001)

2. C Fonseca Guerra, J G Snijders, G te Velde, and E J Baerends, Theor. Chem. Acc. 99, 391 (1998)

3. ADF2004.01, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands, http://www.scm.com
Optionally, you may add the following list of authors:
E.J. Baerends, J. Autschbach, A. Bérces, C. Bo, P. M. Boerrigter, L. Cavallo, D.P. Chong, L. Deng, R. M. Dickson, D. E. Ellis, L. Fan, T. H. Fischer, C. Fonseca Guerra, S. J. A. van Gisbergen, J. A. Groeneveld, O. V. Gritsenko, M. Grüning, F. E. Harris, P. van den Hoek, H. Jacobsen, G. van Kessel, F. Kootstra, E. van Lenthe, D.A. McCormack, V. P. Osinga, S. Patchkovskii, P. H. T. Philipsen, D. Post, C. C. Pye, W. Ravenek, P. Ros, P. R. T. Schipper, G. Schreckenbach, J. G. Snijders, M. Sola, M. Swart, D. Swerhone, G. te Velde, P. Vernooijs, L. Versluis, O. Visser, E. van Wezenbeek, G. Wiesenekker, S. K. Wolff, T. K. Woo, and T. Ziegler

Note: if you have used a modified (by yourself, for instance) version of the code, you should mention in the citation that a modified version has been used.

For calculations with the periodic structures BAND code, version 2004.01:

1. G te Velde and E J Baerends, Phys. Rev B 44, 7888 (1991)

2. G Wiesenekker and E J Baerends, J. of Phys.: Condensed Matter 3, 6721 (1991)

3. BAND2004.01, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands, http://www.scm.com
Optionally, you may add the following list of authors:
G. te Velde, E.J. Baerends, P.H.T. Philipsen, G. Wiesenekker, J.A. Groeneveld, F. Kootstra, P.L. de Boeij, J.G. Snijders

Note: if you have used a modified (by yourself, for instance) version of the code, you should mention in the citation that a modified version has been used.

In addition to these general references, references to special features are mandatory, in case you have used them. See below for details.