This is the documentation for the DALTON quantum chemistry program -- Release 2.0 Rev.0, March 2005 -- for computing Hartree-Fock, Kohn-Sham DFT, MCSCF, NEVPT2, MP2, and coupled cluster wave functions, including here MP2-R12 energies, and for calculating molecular properties and potential energy surfaces.
We emphasize 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 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, a molecular electronic structure program, Release 2.0 (2005), see http://www.kjemi.uio.no/software/dalton/dalton.html''
The program has been developed over a large number of years and include an extensive list of contributing authors:
C. Angeli, K. L. Bak, V. Bakken, O. Christiansen, R. Cimiraglia, S. Coriani, P. Dahle, E. K. Dalskov, T. Enevoldsen, B. Fernandez, C. Hättig, K. Hald, A. Halkier, H. Heiberg, T. Helgaker, H. Hettema, H. J. Aa. Jensen, D. Jonsson, P. Jørgensen, S. Kirpekar, W. Klopper, R. Kobayashi, H. Koch, A. Ligabue, O. B. Lutnæs, K. V. Mikkelsen, P. Norman, J. Olsen, M. J. Packer, T. B. Pedersen, Z. Rinkevicius, E. Rudberg, T. A. Ruden, K. Ruud, P. Saek, A. Sanchez de Meras, T. Saue, S. P. A. Sauer, B. Schimmelpfennig, K. O. Sylvester-Hvid, P. R. Taylor, O. Vahtras, D. J. Wilson, and H. Ågren.
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.