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Quantum Filter Diagonalization: Quantum Eigendecomposition without Full Quantum Phase Estimation
Robert M. Parrish, Peter L. McMahon
We develop a quantum filter diagonalization method (QFD) that lies somewhere between the variational quantum eigensolver (VQE) and the phase estimation algorithm (PEA) in terms of…
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…
A Jacobi Diagonalization and Anderson Acceleration Algorithm For Variational Quantum Algorithm Parameter Optimization
Robert M. Parrish, Joseph T. Iosue, Asier Ozaeta +1
The optimization of circuit parameters of variational quantum algorithms such as the variational quantum eigensolver (VQE) or the quantum approximate optimization algorithm (QAOA)…
Diffractive imaging of dissociation and ground state dynamics in a complex molecule
Kyle Wilkin, Robert Parrish, Jie Yang +9
We have investigated the structural dynamics in photoexcited 1,2-diiodotetrafluoroethane molecules (C2F4I2) in the gas phase experimentally using ultrafast electron diffraction and…
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…