Quantum Computation of Electronic Transitions Using a Variational Quantum Eigensolver
Journal Article
·
· Physical Review Letters
- 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)
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
Cited by: 112 works
Citation information provided by
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