Relativistic quantum chemistry on quantum computers
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F12%3A10125410" target="_blank" >RIV/00216208:11310/12:10125410 - isvavai.cz</a>
Alternative codes found
RIV/61388955:_____/12:00384500
Result on the web
<a href="http://dx.doi.org/10.1103/PhysRevA.85.030304" target="_blank" >http://dx.doi.org/10.1103/PhysRevA.85.030304</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1103/PhysRevA.85.030304" target="_blank" >10.1103/PhysRevA.85.030304</a>
Alternative languages
Result language
angličtina
Original language name
Relativistic quantum chemistry on quantum computers
Original language description
The past few years have witnessed a remarkable interest in the application of quantum computing for solving problems in quantum chemistry more efficiently than classical computers allow. Very recently, proof-of-principle experimental realizations have been reported. However, so far only the nonrelativistic regime (i.e., the Schrodinger equation) has been explored, while it is well known that relativistic effects can be very important in chemistry. We present a quantum algorithm for relativistic computations of molecular energies. We show how to efficiently solve the eigenproblem of the Dirac-Coulomb Hamiltonian on a quantum computer and demonstrate the functionality of the proposed procedure by numerical simulations of computations of the spin-orbit splitting in the SbH molecule. Finally, we propose quantum circuits with three qubits and nine or ten controlled-NOT (CNOT) gates, which implement a proof-of-principle relativistic quantum chemical calculation for this molecule and might be
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
<a href="/en/project/GA203%2F08%2F0626" target="_blank" >GA203/08/0626: Quantum chemistry on quantum computers</a><br>
Continuities
S - Specificky vyzkum na vysokych skolach<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2012
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Physical Review A - Atomic Molecular and Optical Physics
ISSN
1050-2947
e-ISSN
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Volume of the periodical
85
Issue of the periodical within the volume
3
Country of publishing house
US - UNITED STATES
Number of pages
5
Pages from-to
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UT code for WoS article
000301835300001
EID of the result in the Scopus database
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