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Computing Resonant Inelastic X-Ray Scattering Spectra Using The Density Matrix Renormalization Group Method

We present a method for computing the resonant inelastic x-ray scattering (RIXS) spectra in one-dimensional systems using the density matrix renormalization group (DMRG) method. By using DMRG to address this problem, we shift the computational bottleneck from the memory requirements associated with...

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Autores principales: Nocera, A., Kumar, U., Kaushal, N., Alvarez, G., Dagotto, E., Johnston, S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6056525/
https://www.ncbi.nlm.nih.gov/pubmed/30038401
http://dx.doi.org/10.1038/s41598-018-29218-8
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author Nocera, A.
Kumar, U.
Kaushal, N.
Alvarez, G.
Dagotto, E.
Johnston, S.
author_facet Nocera, A.
Kumar, U.
Kaushal, N.
Alvarez, G.
Dagotto, E.
Johnston, S.
author_sort Nocera, A.
collection PubMed
description We present a method for computing the resonant inelastic x-ray scattering (RIXS) spectra in one-dimensional systems using the density matrix renormalization group (DMRG) method. By using DMRG to address this problem, we shift the computational bottleneck from the memory requirements associated with exact diagonalization (ED) calculations to the computational time associated with the DMRG algorithm. This approach is then used to obtain RIXS spectra on cluster sizes well beyond state-of-the-art ED techniques. Using this new procedure, we compute the low-energy magnetic excitations observed in Cu L-edge RIXS for the challenging corner shared CuO(4) chains, both for large multi-orbital clusters and downfolded t-J chains. We are able to directly compare results obtained from both models defined in clusters with identical momentum resolution. In the strong coupling limit, we find that the downfolded t-J model captures the main features of the magnetic excitations probed by RIXS only after a uniform scaling of the spectra is made.
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spelling pubmed-60565252018-07-30 Computing Resonant Inelastic X-Ray Scattering Spectra Using The Density Matrix Renormalization Group Method Nocera, A. Kumar, U. Kaushal, N. Alvarez, G. Dagotto, E. Johnston, S. Sci Rep Article We present a method for computing the resonant inelastic x-ray scattering (RIXS) spectra in one-dimensional systems using the density matrix renormalization group (DMRG) method. By using DMRG to address this problem, we shift the computational bottleneck from the memory requirements associated with exact diagonalization (ED) calculations to the computational time associated with the DMRG algorithm. This approach is then used to obtain RIXS spectra on cluster sizes well beyond state-of-the-art ED techniques. Using this new procedure, we compute the low-energy magnetic excitations observed in Cu L-edge RIXS for the challenging corner shared CuO(4) chains, both for large multi-orbital clusters and downfolded t-J chains. We are able to directly compare results obtained from both models defined in clusters with identical momentum resolution. In the strong coupling limit, we find that the downfolded t-J model captures the main features of the magnetic excitations probed by RIXS only after a uniform scaling of the spectra is made. Nature Publishing Group UK 2018-07-23 /pmc/articles/PMC6056525/ /pubmed/30038401 http://dx.doi.org/10.1038/s41598-018-29218-8 Text en © The Author(s) 2018 Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.
spellingShingle Article
Nocera, A.
Kumar, U.
Kaushal, N.
Alvarez, G.
Dagotto, E.
Johnston, S.
Computing Resonant Inelastic X-Ray Scattering Spectra Using The Density Matrix Renormalization Group Method
title Computing Resonant Inelastic X-Ray Scattering Spectra Using The Density Matrix Renormalization Group Method
title_full Computing Resonant Inelastic X-Ray Scattering Spectra Using The Density Matrix Renormalization Group Method
title_fullStr Computing Resonant Inelastic X-Ray Scattering Spectra Using The Density Matrix Renormalization Group Method
title_full_unstemmed Computing Resonant Inelastic X-Ray Scattering Spectra Using The Density Matrix Renormalization Group Method
title_short Computing Resonant Inelastic X-Ray Scattering Spectra Using The Density Matrix Renormalization Group Method
title_sort computing resonant inelastic x-ray scattering spectra using the density matrix renormalization group method
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6056525/
https://www.ncbi.nlm.nih.gov/pubmed/30038401
http://dx.doi.org/10.1038/s41598-018-29218-8
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