OCC

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

CEPA(0) TOTAL ENERGY CURRENT CORRELATION ENERGY CURRENT ENERGY CURRENT REFERENCE 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 OCEPA(0) CORRELATION ENERGY OCEPA(0) 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-MP2-VDW CORRELATION ENERGY SCS-MP2-VDW TOTAL ENERGY SCS-MP3 CORRELATION ENERGY SCS-MP3 TOTAL ENERGY SCS-MP3-VDW CORRELATION ENERGY SCS-MP3-VDW TOTAL ENERGY SCS-OCEPA(0) CORRELATION ENERGY SCS-OCEPA(0) TOTAL ENERGY SCS-OMP2 CORRELATION ENERGY SCS-OMP2 TOTAL ENERGY SCS-OMP2-VDW CORRELATION ENERGY SCS-OMP2-VDW TOTAL ENERGY SCS-OMP3 CORRELATION ENERGY SCS-OMP3 TOTAL ENERGY SCS-OMP3-VDW CORRELATION ENERGY SCS-OMP3-VDW TOTAL ENERGY SCSN-MP2 CORRELATION ENERGY SCSN-MP2 TOTAL ENERGY SCSN-MP3 CORRELATION ENERGY SCSN-MP3 TOTAL ENERGY SCSN-OMP2 CORRELATION ENERGY SCSN-OMP2 TOTAL ENERGY SCSN-OMP3 CORRELATION ENERGY SCSN-OMP3 TOTAL ENERGY SOS-MP2 CORRELATION ENERGY SOS-MP2 TOTAL ENERGY SOS-MP3 CORRELATION ENERGY SOS-MP3 TOTAL ENERGY SOS-OCEPA(0) CORRELATION ENERGY SOS-OCEPA(0) TOTAL ENERGY SOS-OMP2 CORRELATION ENERGY SOS-OMP2 TOTAL ENERGY SOS-OMP3 CORRELATION ENERGY SOS-OMP3 TOTAL ENERGY SOS-PI-MP2 CORRELATION ENERGY SOS-PI-MP2 TOTAL ENERGY SOS-PI-MP3 CORRELATION ENERGY SOS-PI-MP3 TOTAL ENERGY SOS-PI-OMP2 CORRELATION ENERGY SOS-PI-OMP2 TOTAL ENERGY SOS-PI-OMP3 CORRELATION ENERGY SOS-PI-OMP3 TOTAL ENERGY