DALTON

DALTON (named after John Dalton) is a 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 plans to add support for density functional theory calculations.

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See also: DALTON, Chemistry, Computer software, Coupled cluster, Density functional theory, Hartree-Fock, John Dalton, MP2