Fock Exchange: Optimization challenges on a real-space grid

A. Natan, M. Zuzovski, A. Boag, G. Slepyan, P. Ramsamy, P. Poullet

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

Abstract

The calculation of Fock-Exchange integral is becoming an important computational challenge in solving the quantum properties of systems with many electrons. In this work we show how techniques that are used in electromagnetic simulations for the similar Poisson equation can help in accelerating the calculation of such exchange integrals. The approach we present can be especially efficient for quasi-planar systems such as Graphene nano-ribbons (GNRs) or elongated systems such as carbon nano-tubes (CNTS) and the 1D Carbyne.

Original languageEnglish
Title of host publicationProceedings - 2014 International Conference on Electromagnetics in Advanced Applications, ICEAA 2014
PublisherInstitute of Electrical and Electronics Engineers Inc.
Pages734-737
Number of pages4
ISBN (Electronic)9781467357104
DOIs
StatePublished - 18 Sep 2014
Event16th International Conference on Electromagnetics in Advanced Applications, ICEAA 2014 - Palm Beach, Aruba
Duration: 3 Aug 20148 Aug 2014

Publication series

NameProceedings - 2014 International Conference on Electromagnetics in Advanced Applications, ICEAA 2014

Conference

Conference16th International Conference on Electromagnetics in Advanced Applications, ICEAA 2014
Country/TerritoryAruba
CityPalm Beach
Period3/08/148/08/14

All Science Journal Classification (ASJC) codes

  • Electrical and Electronic Engineering
  • Radiation

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