Efficient computation of the second-Born self-energy using tensor-contraction operations.

Clicks: 221
ID: 101806
2019
Article Quality & Performance Metrics
Overall Quality
Not rated
Combines reader engagement with the AI quality analysis. This article has not been analysed, so there is no overall score — reader engagement is measured and shown alongside.
AI Quality Assessment
Not analyzed
Readership in this journal
Emerging

Ranked #88 of 129 articles by views in The Journal of Chemical Physics

Most read Least read

Bar heights use a square-root scale. Only the 120 most-read articles are drawn; the journal has 129 in total.

Mint this article as an NFT
Not yet minted

Create a permanent, verifiable on-chain record of this article on the Scimatic Network. The NFT is held in your Journament account, and you can withdraw it to your own wallet at any time.

5 SUSD one-off · no wallet required
Sign in to mint
Abstract
In the nonequilibrium Green's function approach, the approximation of the correlation self-energy at the second-Born level is of particular interest, since it allows for a maximal speed-up in computational scaling when used together with the generalized Kadanoff-Baym ansatz for the Green's function. The present day numerical time-propagation algorithms for the Green's function are able to tackle first principles simulations of atoms and molecules, but they are limited to relatively small systems due to unfavorable scaling of self-energy diagrams with respect to the basis size. We propose an efficient computation of the self-energy diagrams by using tensor-contraction operations to transform the internal summations into functions of external low-level linear algebra libraries. We discuss the achieved computational speed-up in transient electron dynamics in selected molecular systems.
Reference Key
tuovinen2019efficientthe Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors Tuovinen, Riku;Covito, Fabio;Sentef, Michael A;
Journal The Journal of Chemical Physics
Year 2019
DOI
10.1063/1.5121820
URL
Keywords
cuprates electron–phonon coupling insulator–metal transition ultrafast optics

Citations

No citations found. To add a citation, contact the admin at info@scimatic.org

Comments

No comments yet. Be the first to comment on this article.