Release of free quantum chemistry program: Dalton
- From: Kenneth Ruud <keruu |-at-| ifm.liu.se>
- Subject: Release of free quantum chemistry program: Dalton
- Date: Tue, 1 Apr 1997 18:13:04 +0200
We are happy to announce the release of the Dalton quantum chemistry
program, Release 1.0 (1997) to the computational chemistry/physics
community. Dalton is a complete, powerful quantum chemistry program
for the calculation of molecular properties with SCF, MP2 or MCSCF
wave functions. The strengths of the program are mainly in the areas
of magnetic and (frequency-dependent) electric properties, and for
studies of molecular potential energy surfaces, both for static and
dynamical investigations, as well as stable algorithms for converging
large MCSCF wave functions (also excited states).
The program is distributed freely to all academic users, although we
require all users to sign a copyright and license agreement.
For more complete information on how to obtain a copy of the program,
more information about what the program can and can not do, please
check out our homepage at
http://www.kjemi.uio.no/software/dalton/dalton.html, or send
to dalton-admin |-at-| kjemi.uio.no.
The complete author list of the program is:
T.Helgaker, H.J.Aa.Jensen, P.Joergensen, J.Olsen, K.Ruud, H.AAgren,
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, and O.Vahtras
On behalf of the authors,
Kenneth Ruud, Ph.D.-student in Chemical Physics at the Department of Chemistry,
University of Oslo, Norway. E-mail: kenneth.ruud |-at-| kjemi.uio.no
I don't know what the computer language of the year 2000 will look like, but
I know it will be called FORTRAN.