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DFOCCΒΆ

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

  • CD-CCD CORRELATION ENERGY
  • CD-CCD TOTAL ENERGY
  • CD-CCSD CORRELATION ENERGY
  • CD-CCSD TOTAL ENERGY
  • CD-MP2 CORRELATION ENERGY
  • CD-MP2 OPPOSITE-SPIN CORRELATION ENERGY
  • CD-MP2 SAME-SPIN CORRELATION ENERGY
  • CD-MP2 TOTAL ENERGY
  • CD-MP3 CORRELATION ENERGY
  • CD-MP3 TOTAL ENERGY
  • CD-OMP2 CORRELATION ENERGY
  • CD-OMP2 TOTAL ENERGY
  • CD-OMP3 CORRELATION ENERGY
  • CD-OMP3 TOTAL ENERGY
  • CD-SCS-MP2 CORRELATION ENERGY
  • CD-SCS-MP2 TOTAL ENERGY
  • CD-SCS-OMP2 CORRELATION ENERGY
  • CD-SCS-OMP2 TOTAL ENERGY
  • CD-SCSN-MP2 CORRELATION ENERGY
  • CD-SCSN-MP2 TOTAL ENERGY
  • CD-SCSN-OMP2 CORRELATION ENERGY
  • CD-SCSN-OMP2 TOTAL ENERGY
  • CD-SOS-MP2 CORRELATION ENERGY
  • CD-SOS-MP2 TOTAL ENERGY
  • CD-SOS-OMP2 CORRELATION ENERGY
  • CD-SOS-OMP2 TOTAL ENERGY
  • CEPA(0) TOTAL ENERGY
  • CURRENT CORRELATION ENERGY
  • CURRENT ENERGY
  • CURRENT REFERENCE ENERGY
  • DF-CCD CORRELATION ENERGY
  • DF-CCD TOTAL ENERGY
  • DF-CCSD CORRELATION ENERGY
  • DF-CCSD TOTAL ENERGY
  • DF-MP2 CORRELATION ENERGY
  • DF-MP2 OPPOSITE-SPIN CORRELATION ENERGY
  • DF-MP2 SAME-SPIN CORRELATION ENERGY
  • DF-MP2 TOTAL ENERGY
  • DF-MP3 CORRELATION ENERGY
  • DF-MP3 TOTAL ENERGY
  • DF-OMP2 CORRELATION ENERGY
  • DF-OMP2 TOTAL ENERGY
  • DF-OMP3 CORRELATION ENERGY
  • DF-OMP3 TOTAL ENERGY
  • DF-SCS-MP2 CORRELATION ENERGY
  • DF-SCS-MP2 TOTAL ENERGY
  • DF-SCS-OMP2 CORRELATION ENERGY
  • DF-SCS-OMP2 TOTAL ENERGY
  • DF-SCSN-MP2 CORRELATION ENERGY
  • DF-SCSN-MP2 TOTAL ENERGY
  • DF-SCSN-OMP2 CORRELATION ENERGY
  • DF-SCSN-OMP2 TOTAL ENERGY
  • DF-SOS-MP2 CORRELATION ENERGY
  • DF-SOS-MP2 TOTAL ENERGY
  • DF-SOS-OMP2 CORRELATION ENERGY
  • DF-SOS-OMP2 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
  • NAUX (SCF)
  • OCEPA(0) CORRELATION ENERGY
  • OCEPA(0) TOTAL ENERGY
  • OMP2.5 CORRELATION ENERGY
  • OMP2.5 TOTAL ENERGY
  • SCS-MP2 CORRELATION ENERGY
  • SCS-MP2 TOTAL ENERGY
  • SCS-MP2-VDW CORRELATION ENERGY
  • SCS-MP2-VDW TOTAL ENERGY
  • SCS-OCEPA(0) CORRELATION ENERGY
  • SCS-OCEPA(0) TOTAL ENERGY
  • SCSN-MP2 CORRELATION ENERGY
  • SCSN-MP2 TOTAL ENERGY
  • SOS-MP2 CORRELATION ENERGY
  • SOS-MP2 TOTAL ENERGY
  • SOS-OCEPA(0) CORRELATION ENERGY
  • SOS-OCEPA(0) TOTAL ENERGY
  • SOS-PI-MP2 CORRELATION ENERGY
  • SOS-PI-MP2 TOTAL ENERGY