DL_MG : A Parallel Multigrid Poisson and Poisson–Boltzmann Solver for Electronic Structure Calculations in Vacuum and Solution

Probert, Matthew Ian James orcid.org/0000-0002-1130-9316, Womack, James, Anton, Lucian et al. (3 more authors) (2018) DL_MG : A Parallel Multigrid Poisson and Poisson–Boltzmann Solver for Electronic Structure Calculations in Vacuum and Solution. Journal of chemical theory and computation. pp. 1412-1432. ISSN 1549-9618

Abstract

Metadata

Authors/Creators:
Copyright, Publisher and Additional Information: © 2018 American Chemical Society
Keywords: Poisson solver,electronic structure,CASTEP Computer program
Dates:
  • Published: 15 February 2018
Institution: The University of York
Academic Units: The University of York > Faculty of Sciences (York) > Physics (York)
Depositing User: Pure (York)
Date Deposited: 16 Apr 2018 11:20
Last Modified: 24 May 2020 11:07
Published Version: https://doi.org/10.1021/acs.jctc.7b01274
Status: Published
Refereed: Yes
Identification Number: https://doi.org/10.1021/acs.jctc.7b01274

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Filename: JCTC_20171215.pdf

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