General information


Dalton is an ab initio quantum chemistry computer program. It is capable of calculating various molecular properties using the Hartree-Fock, MP2, MCSCF and coupled cluster theories. Dalton also supports density functional theory calculations.

Online information from vendor

License and access policy

Dalton is licensed under the GPL 2. That basically means that everyone may freely use the program.


When publishing results obtained with the referred software referred, check the following page to find the correct citation(s): http://daltonprogram.org/citation/


You load the application by typing:

module load Dalton/2016-130ffaa0-intel-2017a

For more information on available versions of Dalton, type:

module avail Dalton