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This content will become publicly available on July 12, 2019

Title: Electronic response of aluminum-bearing minerals

Authors:
ORCiD logo [1] ;  [1] ;  [1] ;  [2] ;  [2] ;  [1]
  1. Physical Sciences Division, Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352, USA
  2. Environmental Molecular Sciences Division, Earth and Biological Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352, USA
Publication Date:
Grant/Contract Number:
NPSI
Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 149 Journal Issue: 2; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1460029

Prange, Micah P., Zhang, Xin, Ilton, Eugene S., Kovarik, Libor, Engelhard, Mark H., and Kerisit, Sebastien N.. Electronic response of aluminum-bearing minerals. United States: N. p., Web. doi:10.1063/1.5037104.
Prange, Micah P., Zhang, Xin, Ilton, Eugene S., Kovarik, Libor, Engelhard, Mark H., & Kerisit, Sebastien N.. Electronic response of aluminum-bearing minerals. United States. doi:10.1063/1.5037104.
Prange, Micah P., Zhang, Xin, Ilton, Eugene S., Kovarik, Libor, Engelhard, Mark H., and Kerisit, Sebastien N.. 2018. "Electronic response of aluminum-bearing minerals". United States. doi:10.1063/1.5037104.
@article{osti_1460029,
title = {Electronic response of aluminum-bearing minerals},
author = {Prange, Micah P. and Zhang, Xin and Ilton, Eugene S. and Kovarik, Libor and Engelhard, Mark H. and Kerisit, Sebastien N.},
abstractNote = {},
doi = {10.1063/1.5037104},
journal = {Journal of Chemical Physics},
number = 2,
volume = 149,
place = {United States},
year = {2018},
month = {7}
}

Works referenced in this record:

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journal, April 1993
  • Becke, Axel D.
  • The Journal of Chemical Physics, Vol. 98, Issue 7, p. 5648-5652
  • DOI: 10.1063/1.464913

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

Rationale for mixing exact exchange with density functional approximations
journal, December 1996
  • Perdew, John P.; Ernzerhof, Matthias; Burke, Kieron
  • The Journal of Chemical Physics, Vol. 105, Issue 22, p. 9982-9985
  • DOI: 10.1063/1.472933