The variational quantum eigensolver (or VQE), first developed by Peruzzo et al.(2014), has
received significant attention from the research community in recent years. It uses the …

We present a review of the Unitary Coupled Cluster (UCC) ansatz and related ansätze
which are used to variationally solve the electronic structure problem on quantum …

Quantum Monte Carlo (QMC) is a family of stochastic methods for solving quantum many-
body problems such as the stationary Schrödinger equation. The review introduces basic …

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 …

State-specific approximations can provide a more accurate representation of challenging
electronic excitations by enabling relaxation of the electron density. While state-specific …

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 …

A prominent goal in quantum chemistry is to solve the molecular electronic structure problem
for ground state energy with high accuracy. While classical quantum chemistry is a relatively …

Single-reference methods such as Hartree–Fock-based coupled cluster theory are well
known for their accuracy and efficiency for weakly correlated systems. For strongly …

We derive and implement a new way of solving coupled cluster equations with lower
computational scaling. Our method is based on the decomposition of both amplitudes and …

Electronic structure methods typically benefit from symmetry breaking and restoration,
specially in the strong correlation regime. The same goes for ansätze on a quantum …