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MRCC¶

Interface to MRCC program written by Mihály Kállay.

  • CC(n-1)(n) CORRELATION ENERGY
  • CC(n-1)(n) TOTAL ENERGY
  • CC(n-1)(n)_L CORRELATION ENERGY
  • CC(n-1)(n)_L TOTAL ENERGY
  • CC2 CORRELATION ENERGY
  • CC2 TOTAL ENERGY
  • CC3 CORRELATION ENERGY
  • CC3 TOTAL ENERGY
  • CC4 CORRELATION ENERGY
  • CC4 TOTAL ENERGY
  • CCSD CORRELATION ENERGY
  • CCSD TOTAL ENERGY
  • CCSD(T) CORRELATION ENERGY
  • CCSD(T) TOTAL ENERGY
  • CCSD(T)_L CORRELATION ENERGY
  • CCSD(T)_L TOTAL ENERGY
  • CCSDT CORRELATION ENERGY
  • CCSDT TOTAL ENERGY
  • CCSDT(Q) CORRELATION ENERGY
  • CCSDT(Q) TOTAL ENERGY
  • CCSDT(Q)/A CORRELATION ENERGY
  • CCSDT(Q)/A TOTAL ENERGY
  • CCSDT(Q)/B CORRELATION ENERGY
  • CCSDT(Q)/B TOTAL ENERGY
  • CCSDT(Q)_L CORRELATION ENERGY
  • CCSDT(Q)_L TOTAL ENERGY
  • CCSDT-1a CORRELATION ENERGY
  • CCSDT-1a TOTAL ENERGY
  • CCSDT-1b CORRELATION ENERGY
  • CCSDT-1b TOTAL ENERGY
  • CCSDT-3 CORRELATION ENERGY
  • CCSDT-3 TOTAL ENERGY
  • CCSDTQ CORRELATION ENERGY
  • CCSDTQ TOTAL ENERGY
  • CCSDTQ-1a CORRELATION ENERGY
  • CCSDTQ-1a TOTAL ENERGY
  • CCSDTQ-1b CORRELATION ENERGY
  • CCSDTQ-1b TOTAL ENERGY
  • CCSDTQ-3 CORRELATION ENERGY
  • CCSDTQ-3 TOTAL ENERGY
  • CCn CORRELATION ENERGY
  • CCn TOTAL ENERGY
  • CCn-1a CORRELATION ENERGY
  • CCn-1a TOTAL ENERGY
  • CCn-1b CORRELATION ENERGY
  • CCn-1b TOTAL ENERGY
  • CCn-3 CORRELATION ENERGY
  • CCn-3 TOTAL ENERGY
  • CCnn CORRELATION ENERGY
  • CCnn TOTAL ENERGY
  • MP2 CORRELATION ENERGY
  • MP2 TOTAL ENERGY

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  •  · 
  • 1.3.2
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  • PSI4
  • Appendices
  • PSI Variables by Module
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