A Multireference Quantum Krylov Algorithm for Strongly Correlated Electrons

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  • Additional Information
    • Publication Date:
      2019
    • Collection:
      Condensed Matter
      Physics (Other)
      Quantum Physics
    • Abstract:
      We introduce a multireference selected quantum Krylov (MRSQK) algorithm suitable for quantum simulation of many-body problems. MRSQK is a low-cost alternative to the quantum phase estimation algorithm that generates a target state as a linear combination of non-orthogonal Krylov basis states. This basis is constructed from a set of reference states via real-time evolution avoiding the numerical optimization of parameters. An efficient algorithm for the evaluation of the off-diagonal matrix elements of the overlap and Hamiltonian matrices is discussed and a selection procedure is introduced to identify a basis of orthogonal references that ameliorates the linear dependency problem. Preliminary benchmarks on linear H$_6$, H$_8$, and BeH$_2$ indicate that MRSQK can predict the energy of these systems accurately using very compact Krylov bases.
    • Accession Number:
      edsarx.1911.05163
  • Citations
    • ABNT:
      STAIR, N. H.; HUANG, R.; EVANGELISTA, F. A. A Multireference Quantum Krylov Algorithm for Strongly Correlated Electrons. [s. l.], 2019. Disponível em: http://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=edsarx&AN=edsarx.1911.05163&custid=s6224580. Acesso em: 7 abr. 2020.
    • AMA:
      Stair NH, Huang R, Evangelista FA. A Multireference Quantum Krylov Algorithm for Strongly Correlated Electrons. 2019. http://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=edsarx&AN=edsarx.1911.05163&custid=s6224580. Accessed April 7, 2020.
    • APA:
      Stair, N. H., Huang, R., & Evangelista, F. A. (2019). A Multireference Quantum Krylov Algorithm for Strongly Correlated Electrons.
    • Chicago/Turabian: Author-Date:
      Stair, Nicholas H., Renke Huang, and Francesco A. Evangelista. 2019. “A Multireference Quantum Krylov Algorithm for Strongly Correlated Electrons.” http://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=edsarx&AN=edsarx.1911.05163&custid=s6224580.
    • Harvard:
      Stair, N. H., Huang, R. and Evangelista, F. A. (2019) ‘A Multireference Quantum Krylov Algorithm for Strongly Correlated Electrons’. Available at: http://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=edsarx&AN=edsarx.1911.05163&custid=s6224580 (Accessed: 7 April 2020).
    • Harvard: Australian:
      Stair, NH, Huang, R & Evangelista, FA 2019, ‘A Multireference Quantum Krylov Algorithm for Strongly Correlated Electrons’, viewed 7 April 2020, .
    • MLA:
      Stair, Nicholas H., et al. A Multireference Quantum Krylov Algorithm for Strongly Correlated Electrons. 2019. EBSCOhost, search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=edsarx&AN=edsarx.1911.05163&custid=s6224580.
    • Chicago/Turabian: Humanities:
      Stair, Nicholas H., Renke Huang, and Francesco A. Evangelista. “A Multireference Quantum Krylov Algorithm for Strongly Correlated Electrons,” 2019. http://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=edsarx&AN=edsarx.1911.05163&custid=s6224580.
    • Vancouver/ICMJE:
      Stair NH, Huang R, Evangelista FA. A Multireference Quantum Krylov Algorithm for Strongly Correlated Electrons. 2019 [cited 2020 Apr 7]; Available from: http://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=edsarx&AN=edsarx.1911.05163&custid=s6224580