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Title: Assessment of the Tao-Mo nonempirical semilocal density functional in applications to solids and surfaces

Authors:
; ; ; ;
Publication Date:
Grant/Contract Number:
FG02-09ER16053
Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Name: Physical Review B Journal Volume: 95 Journal Issue: 3; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1339183

Mo, Yuxiang, Car, Roberto, Staroverov, Viktor N., Scuseria, Gustavo E., and Tao, Jianmin. Assessment of the Tao-Mo nonempirical semilocal density functional in applications to solids and surfaces. United States: N. p., Web. doi:10.1103/PhysRevB.95.035118.
Mo, Yuxiang, Car, Roberto, Staroverov, Viktor N., Scuseria, Gustavo E., & Tao, Jianmin. Assessment of the Tao-Mo nonempirical semilocal density functional in applications to solids and surfaces. United States. doi:10.1103/PhysRevB.95.035118.
Mo, Yuxiang, Car, Roberto, Staroverov, Viktor N., Scuseria, Gustavo E., and Tao, Jianmin. 2017. "Assessment of the Tao-Mo nonempirical semilocal density functional in applications to solids and surfaces". United States. doi:10.1103/PhysRevB.95.035118.
@article{osti_1339183,
title = {Assessment of the Tao-Mo nonempirical semilocal density functional in applications to solids and surfaces},
author = {Mo, Yuxiang and Car, Roberto and Staroverov, Viktor N. and Scuseria, Gustavo E. and Tao, Jianmin},
abstractNote = {},
doi = {10.1103/PhysRevB.95.035118},
journal = {Physical Review B},
number = 3,
volume = 95,
place = {United States},
year = {2017},
month = {1}
}

Works referenced in this record:

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Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals
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  • Hay, P. Jeffrey; Wadt, Willard R.
  • The Journal of Chemical Physics, Vol. 82, Issue 1, p. 299-310
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Self-Consistent Equations Including Exchange and Correlation Effects
journal, November 1965