Spectral functions with the density matrix renormalization group: Krylov-space approach for correction vectors

Nocera, A.; Alvarez, G.

doi:10.1103/physreve.94.053308

Title: Spectral functions with the density matrix renormalization group: Krylov-space approach for correction vectors

Journal Article · Mon Nov 21 00:00:00 EST 2016 · Physical Review E

DOI:https://doi.org/10.1103/physreve.94.053308· OSTI ID:1361304

Nocera, A. ^[1]; Alvarez, G. ^[1]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)

Frequency-dependent correlations, such as the spectral function and the dynamical structure factor, help illustrate condensed matter experiments. Within the density matrix renormalization group (DMRG) framework, an accurate method for calculating spectral functions directly in frequency is the correction-vector method. The correction vector can be computed by solving a linear equation or by minimizing a functional. Our paper proposes an alternative to calculate the correction vector: to use the Krylov-space approach. Further, this paper also studies the accuracy and performance of the Krylov-space approach, when applied to the Heisenberg, the t-J, and the Hubbard models. The cases we studied indicate that the Krylov-space approach can be more accurate and efficient than the conjugate gradient, and that the error of the former integrates best when a Krylov-space decomposition is also used for ground state DMRG.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities Division

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1361304

Alternate ID(s):: OSTI ID: 1333029

Journal Information:: Physical Review E, Vol. 94, Issue 5; ISSN 2470-0045

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 49 works

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