Optimization of VQE-UCC Algorithm Based on Spin State Symmetry
The accurate calculation of molecular energy spectra, a very complicated work, is of importance in many applied fields. Relying on the VQE-UCC algorithm, it is very possible to calculate the molecular energy spectrum on a noisy intermediate scale quantum computer. However, due to the limitation of t...
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doaj-f2fc510d5385438394e43b1b7c3fe28d2021-09-30T06:42:14ZengFrontiers Media S.A.Frontiers in Physics2296-424X2021-09-01910.3389/fphy.2021.735321735321Optimization of VQE-UCC Algorithm Based on Spin State SymmetryQing Guo0Qing Guo1Ping-Xing Chen2Ping-Xing Chen3Department of Physics, College of Liberal Arts and Sciences, National University of Defense Technology, Changsha, ChinaInterdisciplinary Center for Quantum Information, National University of Defense Technology, Changsha, ChinaDepartment of Physics, College of Liberal Arts and Sciences, National University of Defense Technology, Changsha, ChinaInterdisciplinary Center for Quantum Information, National University of Defense Technology, Changsha, ChinaThe accurate calculation of molecular energy spectra, a very complicated work, is of importance in many applied fields. Relying on the VQE-UCC algorithm, it is very possible to calculate the molecular energy spectrum on a noisy intermediate scale quantum computer. However, due to the limitation of the number of qubits and coherent time in quantum computers, the complexity of VQE-UCC algorithm still needs to be reduced in the simulation of macromolecules. We develop a new VQE-UCC method to calculate the ground state of the molecule according to the symmetry of the system, the complexity of which is reduced. Using this method we get the ground and excite state of four kinds of molecules. The method and the results are of great significance for the promotion of quantum chemical simulations.https://www.frontiersin.org/articles/10.3389/fphy.2021.735321/fullquantum computationvariational quantum eigensolverunitary coupled clusterquantum chemicalquantum simulation |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Qing Guo Qing Guo Ping-Xing Chen Ping-Xing Chen |
spellingShingle |
Qing Guo Qing Guo Ping-Xing Chen Ping-Xing Chen Optimization of VQE-UCC Algorithm Based on Spin State Symmetry Frontiers in Physics quantum computation variational quantum eigensolver unitary coupled cluster quantum chemical quantum simulation |
author_facet |
Qing Guo Qing Guo Ping-Xing Chen Ping-Xing Chen |
author_sort |
Qing Guo |
title |
Optimization of VQE-UCC Algorithm Based on Spin State Symmetry |
title_short |
Optimization of VQE-UCC Algorithm Based on Spin State Symmetry |
title_full |
Optimization of VQE-UCC Algorithm Based on Spin State Symmetry |
title_fullStr |
Optimization of VQE-UCC Algorithm Based on Spin State Symmetry |
title_full_unstemmed |
Optimization of VQE-UCC Algorithm Based on Spin State Symmetry |
title_sort |
optimization of vqe-ucc algorithm based on spin state symmetry |
publisher |
Frontiers Media S.A. |
series |
Frontiers in Physics |
issn |
2296-424X |
publishDate |
2021-09-01 |
description |
The accurate calculation of molecular energy spectra, a very complicated work, is of importance in many applied fields. Relying on the VQE-UCC algorithm, it is very possible to calculate the molecular energy spectrum on a noisy intermediate scale quantum computer. However, due to the limitation of the number of qubits and coherent time in quantum computers, the complexity of VQE-UCC algorithm still needs to be reduced in the simulation of macromolecules. We develop a new VQE-UCC method to calculate the ground state of the molecule according to the symmetry of the system, the complexity of which is reduced. Using this method we get the ground and excite state of four kinds of molecules. The method and the results are of great significance for the promotion of quantum chemical simulations. |
topic |
quantum computation variational quantum eigensolver unitary coupled cluster quantum chemical quantum simulation |
url |
https://www.frontiersin.org/articles/10.3389/fphy.2021.735321/full |
work_keys_str_mv |
AT qingguo optimizationofvqeuccalgorithmbasedonspinstatesymmetry AT qingguo optimizationofvqeuccalgorithmbasedonspinstatesymmetry AT pingxingchen optimizationofvqeuccalgorithmbasedonspinstatesymmetry AT pingxingchen optimizationofvqeuccalgorithmbasedonspinstatesymmetry |
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1716863906201206784 |