F12

Performs F12 computations for RHF reference wavefunctions.

F12 CABS CORRECTION ENERGY HF-CABS TOTAL ENERGY MP2-F12 CORRECTION ENERGY MP2-F12 CORRELATION ENERGY MP2-F12 DOUBLES ENERGY MP2-F12 OPPOSITE-SPIN CORRELATION ENERGY MP2-F12 SAME-SPIN CORRELATION ENERGY MP2-F12 SINGLES ENERGY MP2-F12 TOTAL ENERGY