A systematic fitting procedure for accurate force field models to reproduce ab initio phonon spectra of nanostructures

Barrett, Christopher; Wang, Lin-Wang

doi:10.1016/j.cpc.2015.10.018

Title: A systematic fitting procedure for accurate force field models to reproduce ab initio phonon spectra of nanostructures

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Authors:: Barrett, Christopher; Wang, Lin-Wang

Publication Date:: Tue Mar 01 00:00:00 EST 2016

Sponsoring Org.:: USDOE

OSTI Identifier:: 1246673

Grant/Contract Number:: AC02-05CH11231

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Computer Physics Communications

Additional Journal Information:: Journal Name: Computer Physics Communications Journal Volume: 200 Journal Issue: C; Journal ID: ISSN 0010-4655

Publisher:: Elsevier

Country of Publication:: Netherlands

Language:: English

Citation Formats


                    Barrett, Christopher, and Wang, Lin-Wang. A systematic fitting procedure for accurate force field models to reproduce ab initio phonon spectra of nanostructures.  Netherlands: N. p., 2016. 
Web.  doi:10.1016/j.cpc.2015.10.018.

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                    Barrett, Christopher, & Wang, Lin-Wang. A systematic fitting procedure for accurate force field models to reproduce ab initio phonon spectra of nanostructures.  Netherlands.  https://doi.org/10.1016/j.cpc.2015.10.018

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                    Barrett, Christopher, and Wang, Lin-Wang. Tue .  
"A systematic fitting procedure for accurate force field models to reproduce ab initio phonon spectra of nanostructures".  Netherlands.  https://doi.org/10.1016/j.cpc.2015.10.018.

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@article{osti_1246673,

  title        = {A systematic fitting procedure for accurate force field models to reproduce ab initio phonon spectra of nanostructures},

  author       = {Barrett, Christopher and Wang, Lin-Wang},

  abstractNote = {},

  doi          = {10.1016/j.cpc.2015.10.018},

  journal      = {Computer Physics Communications},

  number       = C,

  volume       = 200,

  place        = {Netherlands},

  year         = {Tue Mar 01 00:00:00 EST 2016},

  month        = {Tue Mar 01 00:00:00 EST 2016}

}

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https://doi.org/10.1016/j.cpc.2015.10.018

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