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Oxidation energies of transition metal oxides within the\(\mathrm{GGA}+\mathrm{U}\)framework
Author(s):
Lei Wang
,
Thomas Maxisch
,
Gerbrand Ceder
Publication date
(Electronic):
May 4 2006
Journal:
Physical Review B
Publisher:
American Physical Society (APS)
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39
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Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set
G Kresse
,
J. Furthmüller
(1996)
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From ultrasoft pseudopotentials to the projector augmented-wave method
G Kresse
,
D Joubert
(1999)
Physical Review B, 59(3), 1758-1775
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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
G Kresse
,
J. Furthmüller
(1996)
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Author and article information
Journal
Journal ID (publisher-id):
PRBMDO
Title:
Physical Review B
Abbreviated Title:
Phys. Rev. B
Publisher:
American Physical Society (APS)
ISSN (Print):
1098-0121
ISSN (Electronic):
1550-235X
Publication date Created:
May 2006
Publication date (Electronic):
May 4 2006
Volume
: 73
Issue
: 19
Article
DOI:
10.1103/PhysRevB.73.195107
SO-VID:
fa8caa56-6730-4477-b8b8-2d3e6120a9b4
Copyright ©
© 2006
License:
http://link.aps.org/licenses/aps-default-license
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