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

An important measure of the development of quantum computing platforms has been the
simulation of increasingly complex physical systems. Before fault-tolerant quantum …

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

Coupled cluster theory with single and double excitations accurately describes weak
electron correlation but is known to fail in cases of strong static correlation. Fascinatingly …

While restricted single-reference coupled cluster theory truncated to singles and doubles
(CCSD) provides very accurate results for weakly correlated systems, it usually fails in the …

Doubly occupied configuration interaction (DOCI) with optimized orbitals often accurately
describes strong correlations while working in a Hilbert space much smaller than that …

We propose an efficient O (N 2)-parameter ansatz that consists of a sequence of exponential
operators, each of which is a unitary variant of Neuscamman's cluster Jastrow operator. The …

The pair coupled cluster doubles (pCCD) method (where the excitation manifold is restricted
to electron pairs) has a series of interesting features. Among others, it provides ground-state …

In single-reference coupled-cluster (CC) methods, one has to solve a set of non-linear
polynomial equations in order to determine the so-called amplitudes that are then used to …

The basic concepts of orbital entanglement and its application to chemistry are briefly
reviewed. The calculation of orbital entanglement measures from correlated wavefunctions …