DALTON (PROGRAM)

'Dalton' (named after John Dalton) is an ab initio quantum chemistry program. It is capable of calculating various molecular properties using the Hartree-Fock, MP2, MCSCF and coupled cluster theories. Version 2.0 of DALTON added support for density functional theory calculations. There are many authors, including Trygve Helgaker.

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External link

External link



Dalton Homepage

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