Quantum computing technologies are making steady progress. This has opened new
opportunities for tackling problems whose complexity prevents their description on classical …

The field of quantum computing has undergone significant expansion and development in
recent years. A quantitative and comprehensive examination of the research domain is …

We explore the possibility to perform symmetry restoration with the variation after projection
technique on a quantum computer followed by additional postprocessing. The final goal is to …

We propose an extended version of the symmetry-adapted variational-quantum-eigensolver
(VQE) and apply it to a two-component Fermi-Hubbard model on a bipartite lattice. In the …

Hybrid quantum-classical approaches offer potential solutions to quantum chemistry
problems, yet they often manifest as constrained optimization problems. Here, we explore …

We demonstrate a practical application of quantum computing by using it to investigate the
linear H4 molecule as a simple model for singlet fission. We use the Peeters-Devreese …

The rapid and successful strides in quantum chemistry in the past decades can be largely
credited to a conspicuous synergy between theoretical and computational advancements …

The recent developments of quantum computing present novel potential pathways for
quantum chemistry as the scaling of the computational power of quantum computers could …

Ab initio methods based on the second-order and higher connected moments, or cumulants,
of a reference function have seen limited use in the determination of correlation energies of …

We formulate and implement the Variational Quantum Eigensolver Self Consistent Field
(VQE-SCF) algorithm in combination with polarizable embedding (PE), thereby extending …