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DFMP2¶

Performs density-fitted MP2 computations for RHF/UHF/ROHF reference wavefunctions.

  • CUSTOM SCS-MP2 CORRELATION ENERGY

  • CUSTOM SCS-MP2 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 TOTAL GRADIENT

  • SCF TOTAL ENERGY

  • SCS-MP2 CORRELATION ENERGY

  • SCS-MP2 TOTAL ENERGY

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  • 1.10a1.dev83
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  • PSI Variables by Module
  • DFMP2
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