In this review we outline the theory and recent progress of the restricted active space
configuration interaction (RASCI) methodology within the hole and particle approximation …

This Perspective discusses salient features of the spin-flip approach to strong correlation
and describes different methods that sprung from this idea. The spin-flip treatment exploits …

In this Perspective, we introduce a minimal active space (MAS) for the lowest N eigenstates
of a molecular system in the framework of multistate density functional theory (MSDFT) …

It is shown both theoretically and numerically that the minimal multireference configuration
interaction (CI) approach [Liu, W.; Hoffmann, MR Theor. Chem. Acc. 2014, 133, 1481] …

We report a rigorous formulation of density functional theory for excited states, providing a
theoretical foundation for a multistate density functional theory. We prove the existence of a …

A balanced description of both static and dynamic correlations in electronic systems with
nearly degenerate low-lying states presents a challenge for multiconfigurational methods on …

Approximate solutions to the ab initio electronic structure problem have been a focus of
theoretical and computational chemistry research for much of the past century, with the goal …

Symmetry provides a powerful machinery to classify, interpret, and understand quantum-
mechanical theories and results. However, most contemporary quantum chemistry packages …

We present a simple approach for orbital space partitioning to be employed in the projection-
based embedding theory developed by Goodpaster and co-workers [Manby et al. J. Chem …

The task of computing wavefunctions that are accurate, yet simple enough mathematical
objects to use for reasoning has long been a challenge in quantum chemistry. The difficulty …