Dalton (program)

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Dalton (named after John 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. Version 2.0 of DALTON added support for density functional theory calculations. There are many authors, including Trygve Helgaker, Poul Jørgensen and Kenneth Ruud.

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