In this review, we discuss the recent progress in developing geminal-based theories for
challenging problems in quantum chemistry. Specifically, we focus on the antisymmetrized …

We elaborate on unconventional electronic structure methods based on geminals and their
potential to advance the rapidly developing field of organic photovoltaics (OPVs) …

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] …

Selected configuration interaction (SCI) methods are currently enjoying a resurgence due to
several recent developments which improve either the overall computational efficiency or …

A genetic 'static–dynamic–static'(SDS) framework is proposed for describing strongly
correlated electrons. It permits both simple and sophisticated parameterizations of many …

A novel approach to strongly contracted N-electron valence perturbation theory (SC-
NEVPT2) as a means of describing dynamic electron correlation for quantum chemical …

We propose an efficient general strategy for generating initial orbitals for generalized
valence bond (GVB) calculations which makes routine black-box GVB calculations on large …

Applicability of antisymmetrized product of strongly orthogonal geminals type wave
functions, serving reference states for multireference many‐body perturbation theories, is …

We introduce perturbation and coupled-cluster theories based on a cluster mean-field
reference for describing the ground state of strongly correlated spin systems. In cluster mean …

An optimized implementation of block-correlated coupled cluster theory based on the
generalized valence bond wave function (GVB-BCCC) for the singlet ground state of …