Efficient Multi-Configurational Wavefunction Method with Dynamical Correlation Using Non-Orthogonal Configuration Interaction Singles and Doubles (NOCISD)

<div>It is well known that inclusion of dynamical correlation is needed in order to reach quantitative agreement with experiment for molecular systems with multi-reference character. In this work, we start from a non-orthogonal configuration interaction (NOCI) framework that accounts for the static ... View More