Development of an exchange–correlation functional with uncertainty quantification capabilities for density functional theory

Aldegunde, Manuel; Kermode, James R.; Zabaras, Nicholas

doi:10.1016/j.jcp.2016.01.034

Title: Development of an exchange–correlation functional with uncertainty quantification capabilities for density functional theory

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Authors:: Aldegunde, Manuel; Kermode, James R.; Zabaras, Nicholas

Publication Date:: 2016-04-01

Sponsoring Org.:: USDOE

OSTI Identifier:: 1347460

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Journal of Computational Physics

Additional Journal Information:: Journal Name: Journal of Computational Physics Journal Volume: 311 Journal Issue: C; Journal ID: ISSN 0021-9991

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

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                    Aldegunde, Manuel, Kermode, James R., and Zabaras, Nicholas. Development of an exchange–correlation functional with uncertainty quantification capabilities for density functional theory.  United States: N. p., 2016. 
Web.  doi:10.1016/j.jcp.2016.01.034.

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                    Aldegunde, Manuel, Kermode, James R., & Zabaras, Nicholas. Development of an exchange–correlation functional with uncertainty quantification capabilities for density functional theory.  United States.  https://doi.org/10.1016/j.jcp.2016.01.034

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                    Aldegunde, Manuel, Kermode, James R., and Zabaras, Nicholas. Fri .  
"Development of an exchange–correlation functional with uncertainty quantification capabilities for density functional theory".  United States.  https://doi.org/10.1016/j.jcp.2016.01.034.

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@article{osti_1347460,

  title        = {Development of an exchange–correlation functional with uncertainty quantification capabilities for density functional theory},

  author       = {Aldegunde, Manuel and Kermode, James R. and Zabaras, Nicholas},

  abstractNote = {},

  doi          = {10.1016/j.jcp.2016.01.034},

  journal      = {Journal of Computational Physics},

  number       = C,

  volume       = 311,

  place        = {United States},

  year         = {2016},

  month        = {4}

}

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