Quantum Computation of Electronic Transitions Using a Variational Quantum Eigensolver
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. Here, 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
- Authors:
-
- Stanford Univ., Stanford, CA (United States); SLAC National Accelerator Lab., Menlo Park, CA (United States); QC Ware Corp., Palo Alto, CA (United States)
- Stanford Univ., Stanford, CA (United States); SLAC National Accelerator Lab., Menlo Park, CA (United States)
- Stanford Univ., Stanford, CA (United States); QC Ware Corp., Palo Alto, CA (United States)
- Publication Date:
- Research Org.:
- SLAC National Accelerator Lab., Menlo Park, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC)
- OSTI Identifier:
- 1512808
- Alternate Identifier(s):
- OSTI ID: 1546400
- Grant/Contract Number:
- AC02-76SF00515
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review Letters
- Additional Journal Information:
- Journal Volume: 122; Journal Issue: 23; Journal ID: ISSN 0031-9007
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS
Citation Formats
Parrish, Robert M., Hohenstein, Edward G., McMahon, Peter L., and Martínez, Todd J.. Quantum Computation of Electronic Transitions Using a Variational Quantum Eigensolver. United States: N. p., 2019.
Web. doi:10.1103/PhysRevLett.122.230401.
Parrish, Robert M., Hohenstein, Edward G., McMahon, Peter L., & Martínez, Todd J.. Quantum Computation of Electronic Transitions Using a Variational Quantum Eigensolver. United States. https://doi.org/10.1103/PhysRevLett.122.230401
Parrish, Robert M., Hohenstein, Edward G., McMahon, Peter L., and Martínez, Todd J.. Wed .
"Quantum Computation of Electronic Transitions Using a Variational Quantum Eigensolver". United States. https://doi.org/10.1103/PhysRevLett.122.230401. https://www.osti.gov/servlets/purl/1512808.
@article{osti_1512808,
title = {Quantum Computation of Electronic Transitions Using a Variational Quantum Eigensolver},
author = {Parrish, Robert M. and Hohenstein, Edward G. and McMahon, Peter L. and Martínez, Todd J.},
abstractNote = {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. Here, 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},
doi = {10.1103/PhysRevLett.122.230401},
journal = {Physical Review Letters},
number = 23,
volume = 122,
place = {United States},
year = {2019},
month = {6}
}
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