Quantum Computation of Electronic Transitions Using a Variational Quantum Eigensolver.
Phys Rev Lett
; 122(23): 230401, 2019 Jun 14.
Article
em En
| MEDLINE
| ID: mdl-31298869
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.
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Base de dados:
MEDLINE
Idioma:
En
Ano de publicação:
2019
Tipo de documento:
Article
País de afiliação:
Estados Unidos