DFOCC

Performs density-fitted orbital-optimized MPn and CC computations and conventional MPn computations.

(AT) CORRECTION ENERGY (T) CORRECTION ENERGY CCD CORRELATION ENERGY CCD TOTAL ENERGY CCSD CORRELATION ENERGY CCSD TOTAL ENERGY CCSD(AT) TOTAL ENERGY CCSD(T) TOTAL ENERGY CURRENT CORRELATION ENERGY CURRENT ENERGY CURRENT REFERENCE ENERGY LCCD CORRELATION ENERGY LCCD TOTAL ENERGY MP2 CORRELATION ENERGY MP2 OPPOSITE-SPIN CORRELATION ENERGY MP2 SAME-SPIN CORRELATION ENERGY MP2 TOTAL ENERGY MP2.5 CORRELATION ENERGY MP2.5 TOTAL ENERGY MP3 CORRELATION ENERGY MP3 TOTAL ENERGY NAUX (SCF) OLCCD CORRELATION ENERGY OLCCD TOTAL ENERGY OMP2 CORRELATION ENERGY OMP2 TOTAL ENERGY OMP2.5 CORRELATION ENERGY OMP2.5 TOTAL ENERGY OMP3 CORRELATION ENERGY OMP3 TOTAL ENERGY SCS-MP2 CORRELATION ENERGY SCS-MP2 TOTAL ENERGY SCS-OMP2 CORRELATION ENERGY SCS-OMP2 TOTAL ENERGY SCSN-MP2 CORRELATION ENERGY SCSN-MP2 TOTAL ENERGY SCSN-OMP2 CORRELATION ENERGY SCSN-OMP2 TOTAL ENERGY SOS-MP2 CORRELATION ENERGY SOS-MP2 TOTAL ENERGY SOS-OMP2 CORRELATION ENERGY SOS-OMP2 TOTAL ENERGY