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Avoiding symmetry roadblocks and minimizing the measurement overhead of adaptive variational quantum eigensolvers
V. O. Shkolnikov, Nicholas J. Mayhall, Sophia E. Economou +1
Quantum simulation of strongly correlated systems is potentially the most feasible useful application of near-term quantum computers. Minimizing quantum computational resources is…
Cluster many-body expansion: a many-body expansion of the electron correlation energy about a cluster mean-field reference
Vibin Abraham, Nicholas Mayhall
The many-body expansion (MBE) is an efficient tool which has a long history of use for calculating interaction energies, binding energies, lattice energies, and so on. In the past,…
Preparing Bethe Ansatz Eigenstates on a Quantum Computer
John S. Van Dyke, George S. Barron, Nicholas J. Mayhall +2
Several quantum many-body models in one dimension possess exact solutions via the Bethe ansatz method, which has been highly successful for understanding their behavior. Neverthele…
Spin-flip pair-density functional theory: A practical approach to treat static and dynamical correlations in large molecules
Oinam Romesh Meitei, Nicholas J. Mayhall
We present a practical approach to treat static and dynamical correlation accurately in large multi-configurational systems. The static correlation is accounted for using the spin-…