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

We propose an orbital optimized method for unitary coupled cluster theory (OO-UCC) within
the variational quantum eigensolver (VQE) framework for quantum computers. OO-UCC …

Richardson–Gaudin (RG) states are employed as a variational wave function ansatz for
strongly correlated isomers of H4 and H10. In each case, a single RG state describes the …

Hierarchy configuration interaction (hCI) has recently been introduced as an alternative
configuration interaction (CI) route combining excitation degree and seniority number and …

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 …

We employ state-of-the-art quantum chemistry methods to study the structure-to-property
relationship in polyanilines (PANIs) of different lengths and oxidation states. Specifically, we …

In this paper, we discuss the extension of the recently introduced subsystem embedding
subalgebra coupled cluster (SES-CC) formalism to unitary CC formalisms. In analogy to the …

Eigenvectors of the reduced Bardeen–Cooper–Schrieffer (BCS) Hamiltonian, Richardson–
Gaudin (RG) states, are used as a variational wavefunction ansatz for strongly correlated …

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 …