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@ARTICLE{Volkmann:589138,
      author       = {Volkmann, Hakon and Sathyanarayanan, Raamamurthy and Saenz,
                      Alejandro and Jansen, Karl and Kühn, Stefan},
      title        = {{A} qubit-{ADAPT} {I}mplementation for {H}$_2$ {M}olecules
                      using an {E}xplicitly {C}orrelated {B}asis},
      reportid     = {PUBDB-2023-05073, arXiv:2308.07259},
      year         = {2023},
      abstract     = {With the recent advances in the development of devices
                      capable of performing quantum computations, a growing
                      interest in finding near-term applications has emerged in
                      many areas of science. In the era of non-fault tolerant
                      quantum devices, algorithms that only require comparably
                      short circuits accompanied by high repetition rates are
                      considered to be a promising approach for assisting
                      classical machines with finding solution on computationally
                      hard problems. The ADAPT approach previously introduced in
                      Nat. Commun. 10, 3007 (2019) extends the class of
                      variational quantum eigensolver (VQE) algorithms with
                      dynamically growing ansätze in order to find approximations
                      to ground and excited state energies of molecules. In this
                      work, the ADAPT algorithm has been combined with a
                      first-quantized formulation for the hydrogen molecule in the
                      Born-Oppenheimer approximation, employing the explicitly
                      correlated basis functions introduced in J. Chem. Phys. 43,
                      2429 (1965). By the virtue of their explicit electronic
                      correlation properties, it is shown in classically performed
                      simulations that relatively short circuits yield chemical
                      accuracy ($< 1.6$ mHa) for ground and excited state
                      potential curves that can compete with second quantized
                      approaches such as Unitary Coupled Cluster.},
      keywords     = {excited state, energy (INSPIRE) / molecule, energy
                      (INSPIRE) / hydrogen, molecule (INSPIRE) / cluster, coupling
                      (INSPIRE) / computer, quantum (INSPIRE) / variational
                      quantum eigensolver (INSPIRE) / quantum device (INSPIRE) /
                      4/3 (INSPIRE) / quantization (INSPIRE) / correlation
                      (INSPIRE) / Born-Oppenheimer approximation (INSPIRE)},
      cin          = {CQTA},
      cid          = {I:(DE-H253)CQTA-20221102},
      pnm          = {611 - Fundamental Particles and Forces (POF4-611)},
      pid          = {G:(DE-HGF)POF4-611},
      experiment   = {EXP:(DE-MLZ)NOSPEC-20140101},
      typ          = {PUB:(DE-HGF)25},
      eprint       = {2308.07259},
      howpublished = {arXiv:2308.07259},
      archivePrefix = {arXiv},
      SLACcitation = {$\%\%CITATION$ = $arXiv:2308.07259;\%\%$},
      url          = {https://bib-pubdb1.desy.de/record/589138},
}