Variational quantum eigensolvers (VQE) are among the most promising approaches for
solving electronic structure problems on near-term quantum computers. A critical challenge …

The Coupled Cluster (CC) method is used to compute the electronic correlation energy in
atoms and molecules and often leads to highly accurate results. However, due to its single …

Scalar products and density matrix elements of closed-shell pair geminal wavefunctions are
evaluated directly in terms of the pair amplitudes, resulting in an analog of Wick's theorem …

Simplifications or modifications of coupled cluster methods such as the CCSD (coupled
cluster singles and doubles) model often perform better than the original method in …

The electron pair approximation offers an efficient variational quantum eigensolver (VQE)
approach for chemistry simulations on quantum computers. With the number of entangling …

Full configuration interaction (FCI) restricted to a pairing space yields size-extensive
correlation energies but its cost scales exponentially with molecular size. Restricting the …

We present a modification to variational Monte Carlo's linear method optimization scheme
that addresses a critical memory bottleneck while maintaining compatibility with both the …

Geminal wavefunctions have been employed to model strongly-correlated electrons. These
wavefunctions represent products of weakly-correlated pairs of electrons and reasonable …

The doubly occupied configuration interaction (DOCI) approach can provide an accurate
black-box description of nondynamic electron correlation at a computational cost that …

Our goal is to remedy the failure of symmetry-adapted coupled-cluster theory in the
presence of strong correlation. Previous work along these lines has taken us from a diagram …