Variational Quantum Eigensolver Boosted by Adiabatic Connection
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F24%3A00581634" target="_blank" >RIV/61388955:_____/24:00581634 - isvavai.cz</a>
Alternative codes found
RIV/00216208:11320/24:10493981
Result on the web
<a href="https://hdl.handle.net/11104/0349742" target="_blank" >https://hdl.handle.net/11104/0349742</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.jpca.3c07590" target="_blank" >10.1021/acs.jpca.3c07590</a>
Alternative languages
Result language
angličtina
Original language name
Variational Quantum Eigensolver Boosted by Adiabatic Connection
Original language description
In this work, we integrate the variational quantum eigensolver (VQE) with the adiabatic connection (AC) method for efficient simulations of chemical problems on near-term quantum computers. Orbital-optimized VQE methods are employed to capture the strong correlation within an active space, and classical AC corrections recover the dynamical correlation effects comprising electrons outside of the active space. On two challenging strongly correlated problems, namely, the dissociation of N2 and the electronic structure of the tetramethyleneethane biradical, we show that the combined VQE-AC approach enhances the performance of VQE dramatically. Moreover, since the AC corrections do not bring any additional requirements on quantum resources or measurements, they can actually boost the VQE algorithms. Our work paves the way toward quantum simulations of real-life problems on near-term quantum computers.
Czech name
—
Czech description
—
Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
10403 - Physical chemistry
Result continuities
Project
<a href="/en/project/GF23-04302L" target="_blank" >GF23-04302L: Accurate and efficient density matrix renormalization group-based methods for extended molecules</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2024
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Physical Chemistry A
ISSN
1089-5639
e-ISSN
1520-5215
Volume of the periodical
128
Issue of the periodical within the volume
3
Country of publishing house
US - UNITED STATES
Number of pages
12
Pages from-to
687-698
UT code for WoS article
001151513700001
EID of the result in the Scopus database
2-s2.0-85182582474