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research article

Sequence of penalties method to study excited states using VQE

Carobene, R.
•
Barison, S.  
•
Giachero, A.
July 1, 2023
Quantum Science And Technology

We propose an extension of the variational quantum eigensolver (VQE) that leads to more accurate energy estimations and can be used to study excited states. The method is based on the introduction of a sequence of increasing penalties in the cost function. This approach does not require circuit modifications and thus can be applied with no additional depth cost. Through numerical simulations, we show that we are able to produce variational states with desired physical properties, such as total spin and charge. We assess its performance both on classical simulators and on currently available quantum devices, calculating the potential energy curves of small molecular systems in different physical configurations. Finally, we compare our method to the original VQE and to another extension, obtaining a better agreement with exact simulations for both energy and targeted physical quantities.

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Type
research article
DOI
10.1088/2058-9565/acd1a9
Web of Science ID

WOS:000987868600001

Author(s)
Carobene, R.
Barison, S.  
Giachero, A.
Date Issued

2023-07-01

Published in
Quantum Science And Technology
Volume

8

Issue

3

Article Number

035014

Subjects

Quantum Science & Technology

•

Physics, Multidisciplinary

•

Physics

•

vqe

•

quantum computing

•

quantum simulation

•

excited states

•

variational quantum eigensolver

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

Available on Infoscience
June 5, 2023
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/198028
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