Citation

BibTex format

@article{Wu:2023:2058-9565/acf9c7,
author = {Wu, Y and Huang, Z and Sun, J and Yuan, X and Wang, JB and Lv, D},
doi = {2058-9565/acf9c7},
journal = {Quantum Science and Technology},
pages = {045030--045030},
title = {Orbital expansion variational quantum eigensolver},
url = {http://dx.doi.org/10.1088/2058-9565/acf9c7},
volume = {8},
year = {2023}
}

RIS format (EndNote, RefMan)

TY  - JOUR
AB - <jats:title>Abstract</jats:title> <jats:p>Variational quantum eigensolver (VQE) has emerged as a promising method for investigating ground state properties in quantum chemistry, materials science, and condensed matter physics. However, the conventional VQE method generally lacks systematic improvement and convergence guarantees, particularly when dealing with strongly correlated systems. In light of these challenges, we present a novel framework called orbital expansion VQE (OE-VQE) to address these limitations. The key idea is to devise an efficient convergence path by utilizing shallower quantum circuits, starting from a highly compact active space and gradually expanding it until convergence to the ground state is achieved. To validate the effectiveness of the OE-VQE framework, we conducted benchmark simulations on several small yet representative molecules, including the <jats:inline-formula> <jats:tex-math><?CDATA $\mathrm{H}_{6}$?></jats:tex-math> <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" overflow="scroll"> <mml:msub> <mml:mrow> <mml:mi mathvariant="normal">H</mml:mi> </mml:mrow> <mml:mrow> <mml:mn>6</mml:mn> </mml:mrow> </mml:msub> </mml:math> <jats:inline-graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="qstacf9c7ieqn1.gif" xlink:type="simple" /> </jats:inline-formula> chain, <jats:inline-formula> <jats:tex-math><?CDATA $\mathrm{H}_{10}$?></jats:tex-math> <mml:math xmln
AU - Wu,Y
AU - Huang,Z
AU - Sun,J
AU - Yuan,X
AU - Wang,JB
AU - Lv,D
DO - 2058-9565/acf9c7
EP - 045030
PY - 2023///
SP - 045030
TI - Orbital expansion variational quantum eigensolver
T2 - Quantum Science and Technology
UR - http://dx.doi.org/10.1088/2058-9565/acf9c7
VL - 8
ER -