Quantum Computation of Electronic Transitions using a Variational Quantum Eigensolver
Quantum Physics
2019-06-19 v2
Abstract
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 energies between the ground state and several low-lying excited states of a molecule, as well as the oscillator strengths associated with these transitions. We numerically simulate MC-VQE by computing the absorption spectrum of an ab initio exciton model of an 18-chromophore light-harvesting complex from purple photosynthetic bacteria.
Cite
@article{arxiv.1901.01234,
title = {Quantum Computation of Electronic Transitions using a Variational Quantum Eigensolver},
author = {Robert M. Parrish and Edward G. Hohenstein and Peter L. McMahon and Todd J. Martinez},
journal= {arXiv preprint arXiv:1901.01234},
year = {2019}
}
Comments
Updated with addl references and SI case study of H-aggregate BChl-a stack