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Author:

Hu, Guanghui (Hu, Guanghui.) | Xie, Hehu (Xie, Hehu.) | Xu, Fei (Xu, Fei.)

Indexed by:

EI Scopus SCIE

Abstract:

Based on the numerical method proposed in Hu et al. (2018) [22] for Kohn-Sham equation, further improvement on the efficiency is obtained in this paper by i). designing a numerical method with the strategy of separately handling the nonlinear Hartree potential and exchange-correlation potential, and ii). parallelizing the algorithm in an eigenpairwise approach. The feasibility of two approaches is analyzed in detail, and the new algorithm is described completely. Compared with previous results, a significant improvement of numerical efficiency can be observed from plenty of numerical experiments, which make the new method more suitable for the practical problems.(c) 2022 Elsevier Inc. All rights reserved.

Keyword:

Separately handing nonlinear terms Finite element method Multilevel correction method Kohn-Sham equation Parallel computing

Author Community:

  • [ 1 ] [Hu, Guanghui]Univ Macau, Fac Sci & Technol, Dept Math & Guangdong Hong Kong Macao Joint Lab Da, Macau, Peoples R China
  • [ 2 ] [Hu, Guanghui]Zhuhai UM Sci & Technol Res Inst, Zhuhai, Guangdong, Peoples R China
  • [ 3 ] [Xie, Hehu]Chinese Acad Sci, Acad Math & Syst Sci, LSEC, ICMSEC, Beijing 100190, Peoples R China
  • [ 4 ] [Xie, Hehu]Univ Chinese Acad Sci, Sch Math Sci, Beijing 100049, Peoples R China
  • [ 5 ] [Xu, Fei]Beijing Univ Technol, Fac Sci, Beijing 100124, Peoples R China

Reprint Author's Address:

  • [Xu, Fei]Beijing Univ Technol, Fac Sci, Beijing 100124, Peoples R China;;

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Source :

JOURNAL OF COMPUTATIONAL PHYSICS

ISSN: 0021-9991

Year: 2023

Volume: 472

4 . 1 0 0

JCR@2022

ESI Discipline: PHYSICS;

ESI HC Threshold:17

Cited Count:

WoS CC Cited Count: 2

SCOPUS Cited Count: 3

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 5

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