QCISDQuadratic Configuration Interaction with Single and Double Excitation
References in periodicals archive ?
Schaefer III, "Is Coupled Cluster Singles and Doubles (CCSD) more computationally intensive than Quadratic Configuration Interaction (QCISD)?" The Journal of Chemical Physics, vol.
Molecular geometries were optimized at the MP2 and QCISD levels of theory using 6-311G(2df) and cc-pVTZ basis sets.