307 citations · 1.8k across the 30 of their papers we have counts for
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Intermolecular Vibrations Drive Ultrafast Singlet Fission
Hong-Guang Duan, Ajay Jha 1, Xin Li +8
Singlet fission is a spin-allowed exciton multiplication process in organic semiconductors that converts one spin-singlet exciton to two triplet excitons. It offers the potential t…
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…
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…