MP2

Performs second order Moller-Plesset perturbation theory (MP2) computations. This code can compute RHF/ROHF/UHF energies, and RHF gradient/property computations. However, given the small errors introduced, we recommend using the new density fitted MP2 codes instead, which are much more efficient.

CURRENT CORRELATION ENERGY CURRENT ENERGY MP2 CORRELATION ENERGY MP2 OPPOSITE-SPIN CORRELATION ENERGY MP2 SAME-SPIN CORRELATION ENERGY MP2 TOTAL ENERGY SCS-MP2 CORRELATION ENERGY SCS-MP2 OPPOSITE-SPIN CORRELATION ENERGY SCS-MP2 SAME-SPIN CORRELATION ENERGY SCS-MP2 TOTAL ENERGY