CCENERGY

Computes coupled cluster energies. Called as part of any coupled cluster computation.

(T) CORRECTION ENERGY A-(T) CORRECTION ENERGY A-CCSD(T) CORRELATION ENERGY A-CCSD(T) TOTAL ENERGY AAA (T) CORRECTION ENERGY AAB (T) CORRECTION ENERGY ABB (T) CORRECTION ENERGY BBB (T) CORRECTION ENERGY BRUECKNER CONVERGED CC CORRELATION ENERGY CC D1 DIAGNOSTIC CC D2 DIAGNOSTIC CC NEW D1 DIAGNOSTIC CC ROOT n CORRELATION ENERGY CC ROOT n DIPOLE CC ROOT n DIPOLE X CC ROOT n DIPOLE Y CC ROOT n DIPOLE Z CC ROOT n QUADRUPOLE CC ROOT n QUADRUPOLE XX CC ROOT n QUADRUPOLE XY CC ROOT n QUADRUPOLE XZ CC ROOT n QUADRUPOLE YY CC ROOT n QUADRUPOLE YZ CC ROOT n QUADRUPOLE ZZ CC ROOT n TOTAL ENERGY CC T1 DIAGNOSTIC CC TOTAL ENERGY CC2 CORRELATION ENERGY CC2 DIPOLE POLARIZABILITY @ xNM CC2 SPECIFIC ROTATION (LEN) @ xNM CC2 SPECIFIC ROTATION (MVG) @ xNM CC2 SPECIFIC ROTATION (VEL) @ xNM CC2 TOTAL ENERGY CC3 CORRELATION ENERGY CC3 TOTAL ENERGY CCSD CORRELATION ENERGY CCSD DIPOLE POLARIZABILITY @ xNM CCSD DOUBLES ENERGY CCSD ITERATIONS CCSD OPPOSITE-SPIN CORRELATION ENERGY CCSD SAME-SPIN CORRELATION ENERGY CCSD SINGLES ENERGY CCSD SPECIFIC ROTATION (LEN) @ xNM CCSD SPECIFIC ROTATION (MVG) @ xNM CCSD SPECIFIC ROTATION (VEL) @ xNM CCSD TOTAL ENERGY CCSD(T) CORRELATION ENERGY CCSD(T) TOTAL ENERGY CURRENT CORRELATION ENERGY CURRENT ENERGY LCC2 (+LMP2) TOTAL ENERGY LCCSD (+LMP2) 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(N)-MP2 CORRELATION ENERGY SCS(N)-MP2 TOTAL ENERGY SCS-CCSD CORRELATION ENERGY SCS-CCSD TOTAL ENERGY SCS-MP2 CORRELATION ENERGY SCS-MP2 TOTAL ENERGY