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DLPNO¶

Performs DLPNO-MP2 computations for RHF reference wavefunctions.

  • CURRENT CORRELATION ENERGY

  • CURRENT ENERGY

  • 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

  • SCF TOTAL ENERGY

  • SCS-MP2 CORRELATION ENERGY

  • SCS-MP2 TOTAL ENERGY

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  • 1.6
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  • DLPNO
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