Dalton
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Dalton documentation. The dalton program system is designed to allow convenient, automated determination of a large number of molecular properties based on an HF, DFT, MP2, coupled cluster, or
MCSCF reference wave function.
1.
Dalton 2.0 Manual
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.
2.
Dalton 1.0 Manual
This is the documentation for the dalton quantum chemistry program - Release 1.2.1,
November 2001 - for computing SCF, MCSCF, MP2, and Coupled Cluster wave functions
and for calculating molecular properties and potential energy surfaces.
