307 citations · 620 across the 10 of their papers we have counts for
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Accelerating Quantum Computations of Chemistry Through Regularized Compressed Double Factorization
Oumarou Oumarou, Maximilian Scheurer, Robert M. Parrish +2
We propose the regularized compressed double factorization (RC-DF) method to classically compute compressed representations of molecular Hamiltonians that enable efficient simulati…
Efficient Quantum Analytic Nuclear Gradients with Double Factorization
Edward G. Hohenstein, Oumarou Oumarou, Rachael Al-Saadon +4
Efficient representations of the Hamiltonian such as double factorization drastically reduce circuit depth or number of repetitions in error corrected and noisy intermediate scale…
Hybrid Quantum/Classical Derivative Theory: Analytical Gradients and Excited-State Dynamics for the Multistate Contracted Variational Quantum Eigensolver
Robert M. Parrish, Edward G. Hohenstein, Peter L. McMahon +1
The maturation of analytical derivative theory over the past few decades has enabled classical electronic structure theory to provide accurate and efficient predictions of a wide v…
Quantum Computation of Electronic Transitions using a Variational Quantum Eigensolver
Robert M. Parrish, Edward G. Hohenstein, Peter L. McMahon +1
We develop an extension of the variational quantum eigensolver (VQE) algorithm - multistate, contracted VQE (MC-VQE) - that allows for the efficient computation of the transition e…