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