DFOCC

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

(T) CORRECTION ENERGY A-(T) CORRECTION ENERGY A-CCSD(T) CORRELATION ENERGY A-CCSD(T) TOTAL ENERGY CCD CORRELATION ENERGY CCD DOUBLES ENERGY CCD SINGLES ENERGY CCD TOTAL ENERGY CCSD CORRELATION ENERGY CCSD DOUBLES ENERGY CCSD SINGLES ENERGY CCSD TOTAL ENERGY CCSD(T) CORRELATION ENERGY CCSD(T) TOTAL ENERGY CURRENT CORRELATION ENERGY CURRENT ENERGY CURRENT REFERENCE ENERGY LCCD CORRELATION ENERGY LCCD DOUBLES ENERGY LCCD OPPOSITE-SPIN CORRELATION ENERGY LCCD SAME-SPIN CORRELATION ENERGY LCCD SINGLES ENERGY LCCD TOTAL ENERGY MP2 CORRELATION ENERGY MP2 DOUBLES ENERGY MP2 OPPOSITE-SPIN CORRELATION ENERGY MP2 SAME-SPIN CORRELATION ENERGY MP2 SINGLES ENERGY MP2 TOTAL ENERGY MP2.5 CORRELATION ENERGY MP2.5 DOUBLES ENERGY MP2.5 OPPOSITE-SPIN CORRELATION ENERGY MP2.5 SAME-SPIN CORRELATION ENERGY MP2.5 SINGLES ENERGY MP2.5 TOTAL ENERGY MP3 CORRELATION ENERGY MP3 DOUBLES ENERGY MP3 OPPOSITE-SPIN CORRELATION ENERGY MP3 SAME-SPIN CORRELATION ENERGY MP3 SINGLES ENERGY MP3 TOTAL ENERGY NAUX (SCF) OLCCD CORRELATION ENERGY OLCCD OPPOSITE-SPIN CORRELATION ENERGY OLCCD REFERENCE CORRECTION ENERGY OLCCD SAME-SPIN CORRELATION ENERGY OLCCD TOTAL ENERGY OMP2 CORRELATION ENERGY OMP2 OPPOSITE-SPIN CORRELATION ENERGY OMP2 REFERENCE CORRECTION ENERGY OMP2 SAME-SPIN CORRELATION ENERGY OMP2 TOTAL ENERGY OMP2.5 CORRELATION ENERGY OMP2.5 OPPOSITE-SPIN CORRELATION ENERGY OMP2.5 REFERENCE CORRECTION ENERGY OMP2.5 SAME-SPIN CORRELATION ENERGY OMP2.5 TOTAL ENERGY OMP3 CORRELATION ENERGY OMP3 OPPOSITE-SPIN CORRELATION ENERGY OMP3 REFERENCE CORRECTION ENERGY OMP3 SAME-SPIN CORRELATION ENERGY OMP3 TOTAL ENERGY OREMP2 CORRELATION ENERGY OREMP2 REFERENCE CORRECTION ENERGY OREMP2 TOTAL ENERGY REMP2 CORRELATION ENERGY REMP2 DOUBLES ENERGY REMP2 OPPOSITE-SPIN CORRELATION ENERGY REMP2 SAME-SPIN CORRELATION ENERGY REMP2 SINGLES ENERGY REMP2 TOTAL ENERGY SCF TOTAL ENERGY SCS(N)-MP2 CORRELATION ENERGY SCS(N)-MP2 TOTAL ENERGY SCS(N)-OMP2 CORRELATION ENERGY SCS(N)-OMP2 TOTAL ENERGY SCS-MP2 CORRELATION ENERGY SCS-MP2 TOTAL ENERGY SCS-OMP2 CORRELATION ENERGY SCS-OMP2 TOTAL ENERGY SOS-MP2 CORRELATION ENERGY SOS-MP2 TOTAL ENERGY SOS-OMP2 CORRELATION ENERGY SOS-OMP2 TOTAL ENERGY