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.
- Received 4 January 2019
- Revised 10 April 2019
DOI:https://doi.org/10.1103/PhysRevLett.122.230401
© 2019 American Physical Society