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1. Dalton 2.0 Manual

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This is the documentation for the dalton quantum chemistry program—Release 2.0 Rev.0, March 2005 — for computing Hartree–Fock, Kohn–Sham DFT, MCSCF, NEVPT2, MP2, and coupled cluster wave functions, including here MP2-R12 energies, and for calculating molecular properties and potential energy surfaces.
by Maria Wulff Hauglann last modified Nov 06, 2007 11:09 AM