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Title: Quantum Computation of Electronic Transitions Using a Variational Quantum Eigensolver

Journal Article · · Physical Review Letters
 [1];  [2];  [3];  [2]
  1. Stanford Univ., Stanford, CA (United States); SLAC National Accelerator Lab., Menlo Park, CA (United States); QC Ware Corp., Palo Alto, CA (United States)
  2. Stanford Univ., Stanford, CA (United States); SLAC National Accelerator Lab., Menlo Park, CA (United States)
  3. Stanford Univ., Stanford, CA (United States); QC Ware Corp., Palo Alto, CA (United States)

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

Research Organization:
SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC); USDOE
Grant/Contract Number:
AC02-76SF00515
OSTI ID:
1512808
Alternate ID(s):
OSTI ID: 1546400
Journal Information:
Physical Review Letters, Vol. 122, Issue 23; ISSN 0031-9007
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 112 works
Citation information provided by
Web of Science

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Cited By (4)

Decoding quantum errors with subspace expansions journal January 2020
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Quantum computational chemistry text January 2018
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