Multiple model energy calculations

CC allows for the calculation of the ground state energy of the given system using a variety of wavefunction models, listed in Section 27.1. For any model specified, the Hartree-Fock energy is always calculated. The following input describes the calculation of SCF, MP2, CCSD and CCSD(T) ground state energies:

**DALTON INPUT
.RUN WAVE FUNCTIONS
**WAVE FUNCTIONS
.CC
*CC INPUT
.MP2              
.CCSD
.CC(T)
**END OF DALTON INPUT

Note that SCF, MP2 and CCSD energies are obtained by default if CCSD(T) ( .CC(T)) is required. Therefore the keywords .MP2 and .CCSD may also be omitted in the previous example.