Improving the accuracy of the variational quantum eigensolver for molecular systems by the explicitly-correlated perturbative [2]<sub>R12</sub><b>-</b>correction-Reference-Cited by-同舟云学术

Improving the accuracy of the variational quantum eigensolver for molecular systems by the explicitly-correlated perturbative [2]_R12-correction

Published:2022 Issue:22 Volume:24 Page:13550-13564
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Schleich Philipp¹²³^ORCID,Kottmann Jakob S.¹⁴^ORCID,Aspuru-Guzik Alán¹³⁴⁵

Affiliation:

1. Department of Computer Science, University of Toronto, Canada

2. Applied and Computational Mathematics, Department of Mathematics, RWTH Aachen University, Aachen, Germany

3. Vector Institute for Artificial Intelligence, Toronto, Canada

4. Chemical Physics Theory Group, Department of Chemistry, University of Toronto, Canada

5. Canadian Institute for Advanced Research (CIFAR) Lebovic Fellow, Toronto, Canada

Abstract

We provide an integration of an explicitly-correlated, perturbative correction into the variational quantum eigensolver, which is able to improve the energies of electronic systems and thus can reduce quantum resources needed for a certain accuracy.

Funder

U.S. Department of Energy

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D2CP00247G

Reference103 articles.

1. Quantum supremacy using a programmable superconducting processor

2. Hartree-Fock on a superconducting qubit quantum computer

3. Quantum computational advantage using photons

4. Quantum Computing in the NISQ era and beyond

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