Orbital transformations to reduce the 1-norm of the electronic structure hamiltonian for quantum computing applications

HIGHLIGHTS

• who: Emiel Koridon from the ENSCM, Montpellier , France Leiden University have published the article: Orbital transformations to reduce the 1-norm of the electronic structure Hamiltonian for quantum computing applications, in the Journal: (JOURNAL) of 18/04/2021
• what: The authors investigate the effect of classical preoptimization of the electronic structure Hamiltonian representation via single-pArticle basis transformation on the 1-norm. The authors show that the use of localized orbitals has a significant impact on the 1-norm of all systems studied, from simple onedimensional hydrogen chains (also studied in Refs. The authors investigate . . .
  

   

  

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