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Density-functional theory studies of pyrite FeS2() and () surfaces
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title
Density-functional theory studies of pyrite FeS2() and () surfaces
(English)
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author name string
Andrew Hung
series ordinal
1
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Joseph Muscat
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2
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Irene Yarovsky
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3
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Salvy P Russo
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4
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publication date
August 2002
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published in
Surface Science
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volume
513
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issue
3
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page(s)
511-524
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cites work
Self-Consistent Equations Including Exchange and Correlation Effects
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https://api.crossref.org/works/10.1016%2FS0039-6028%2802%2901849-6
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7 January 2021
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Density-functional exchange-energy approximation with correct asymptotic behavior
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https://api.crossref.org/works/10.1016%2FS0039-6028%2802%2901849-6
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Accurate and simple analytic representation of the electron-gas correlation energy
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https://api.crossref.org/works/10.1016%2FS0039-6028%2802%2901849-6
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7 January 2021
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Ab initiomolecular dynamics for liquid metals
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7 January 2021
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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
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https://api.crossref.org/works/10.1016%2FS0039-6028%2802%2901849-6
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7 January 2021
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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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7 January 2021
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Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
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https://api.crossref.org/works/10.1016%2FS0039-6028%2802%2901849-6
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7 January 2021
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Sulfur deficiency in iron pyrite ( FeS 2 − x ) and its consequences for band-structure models
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reference URL
https://api.crossref.org/works/10.1016%2FS0039-6028%2802%2901849-6
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7 January 2021
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Identifiers
DOI
10.1016/S0039-6028(02)01849-6
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