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Arguello-Luengo, Javier; Shi, Tao1; Gonzalez-Tudela, Alejandro
Engineering analog quantum chemistry Hamiltonians using cold atoms in optical lattices
Source PublicationPHYSICAL REVIEW A
Language英语
KeywordDENSITY-FUNCTIONAL THEORY SIMULATION ALGORITHM PHYSICS ACCURACY INSIGHTS STATES PHASE
AbstractUsing quantum systems to efficiently solve quantum chemistry problems is one of the long-sought applications of near-future quantum technologies. In a recent work [J. Arguello-Luengo et al., Nature (London) 574, 215 (2019)], ultracold fermionic atoms have been proposed for this purpose by showing us how to simulate in an analog way the quantum chemistry Hamiltonian projected in a lattice basis set. Here, we continue exploring this path and go beyond these results in several ways. First, we numerically benchmark the working conditions of the analog simulator and find less demanding experimental setups where chemistry-like behavior in three dimensions can still be observed. We also provide a deeper understanding of the errors of the simulation appearing due to discretization and finite-size effects and provide a way to mitigate them. Finally, we benchmark the simulator characterizing the behavior of two-electron atoms (He) and molecules (HeH+) beyond the example considered in the original work.
2021
ISSN2469-9926
Volume103Issue:4Pages:43318
Cooperation Status国际
Subject AreaOptics ; Physics
MOST Discipline CatalogueOptics ; Physics, Atomic, Molecular & Chemical
DOI10.1103/PhysRevA.103.043318
Indexed BySCIE
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Document Type期刊论文
Identifierhttp://ir.itp.ac.cn/handle/311006/27317
CollectionSCI期刊论文
Affiliation1.Barcelona Inst Sci & Technol, ICFO Inst Ciencies Foton, Castelldefels 08860, Barcelona, Spain
2.Chinese Acad Sci, Inst Theoret Phys, CAS Key Lab Theoret Phys, POB 2735, Beijing 100190, Peoples R China
3.CSIC, Inst Fis Fundamental IFF, Calle Serrano 113b, Madrid 28006, Spain
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GB/T 7714
Arguello-Luengo, Javier,Shi, Tao,Gonzalez-Tudela, Alejandro. Engineering analog quantum chemistry Hamiltonians using cold atoms in optical lattices[J]. PHYSICAL REVIEW A,2021,103(4):43318.
APA Arguello-Luengo, Javier,Shi, Tao,&Gonzalez-Tudela, Alejandro.(2021).Engineering analog quantum chemistry Hamiltonians using cold atoms in optical lattices.PHYSICAL REVIEW A,103(4),43318.
MLA Arguello-Luengo, Javier,et al."Engineering analog quantum chemistry Hamiltonians using cold atoms in optical lattices".PHYSICAL REVIEW A 103.4(2021):43318.
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