1.5k citations · 2k across the 17 of their papers we have counts for
4 papers · 1 filter
Say NO to Optimization: A Non-Orthogonal Quantum Eigensolver
Unpil Baek, Diptarka Hait, James Shee +5
A balanced description of both static and dynamic correlations in electronic systems with nearly degenerate low-lying states presents a challenge for multi-configurational methods…
Generalized Unitary Coupled Cluster Wavefunctions for Quantum Computation
Joonho Lee, William J. Huggins, Martin Head-Gordon +1
We introduce a unitary coupled-cluster (UCC) ansatz termed -UpCCGSD that is based on a family of sparse generalized doubles (D) operators which provides an affordable and system…
Postponing the orthogonality catastrophe: efficient state preparation for electronic structure simulations on quantum devices
Norm M. Tubman, Carlos Mejuto-Zaera, Jeffrey M. Epstein +8
Despite significant work on resource estimation for quantum simulation of electronic systems, the challenge of preparing states with sufficient ground state support has so far been…
Simulated Quantum Computation of Molecular Energies
Alán Aspuru-Guzik, Anthony D. Dutoi, Peter J. Love +1
The calculation time for the energy of atoms and molecules scales exponentially with system size on a classical computer but polynomially using quantum algorithms. We demonstrate t…