This is the documentation for the DALTON quantum chemistry program -- Release 1.0, April 1997 -- for computing SCF, MCSCF and MP2 wave functions and calculating molecular properties and potential energy surfaces.
We emphasize again here the conditions under which the
program is distributed. It is furnished for your own use,
and you may not redistribute it further, either in whole or in
part. Any one interested in obtaining DALTON should send mail to
dalton-admin@kjemi.uio.no, or check out the DALTON homepage
at
http://www.kjemi.uio.no/software/dalton/dalton.html.
Any use of the program that results in published material should cite the following:
``DALTON , an ab initio electronic structure program, Release 1.0 (1997)'', written by T. Helgaker, H. J. Aa. Jensen, P. Jørgensen, J. Olsen, K. Ruud, H. Ågren, T. Andersen, K. L. Bak, V. Bakken, O. Christiansen, P. Dahle, E. K. Dalskov, T. Enevoldsen, B. Fernandez, H. Heiberg, H. Hettema, D.Jonsson, S. Kirpekar, R. Kobayashi, H. Koch, K. V. Mikkelsen, P. Norman, M. J. Packer, T. Saue, P. R. Taylor, O. Vahtras
The program represents experimental code that is under constant development. No guarantees of any kind are provided, and the authors accept no responsibility for the performance of the code or for the correctness of the results.