Počet záznamů: 1  

Fermionic Orbital Optimization in Tensor Network States

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    0465777 - ÚFCH JH 2017 RIV US eng J - Článek v odborném periodiku
    Krumnow, C. - Veis, Libor - Legeza, Ö. - Eisert, J.
    Fermionic Orbital Optimization in Tensor Network States.
    Physical Review Letters. Roč. 117, č. 21 (2016), s. 210402. ISSN 0031-9007. E-ISSN 1079-7114
    Grant CEP: GA ČR GA16-12052S
    Institucionální podpora: RVO:61388955
    Klíčová slova: Ground state * Linear transformations * quantum chemistry
    Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
    Impakt faktor: 8.462, rok: 2016

    Tensor network states and specifically matrix-product states have proven to be a powerful tool for simulating ground states of strongly correlated spin models. Recently, they have also been applied to interacting fermionic problems, specifically in the context of quantum chemistry. A new freedom arising in such nonlocal fermionic systems is the choice of orbitals, it being far from clear what choice of fermionic orbitals to make. In this Letter, we propose a way to overcome this challenge. We suggest a method intertwining the optimization over matrix product states with suitable fermionic Gaussian mode transformations. The described algorithm generalizes basis changes in the spirit of the Hartree-Fock method to matrix-product states, and provides a black box tool for basis optimization in tensor network methods.
    Trvalý link: http://hdl.handle.net/11104/0264232

     
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