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A new generalized Kohn-Sham method for fundamental band-gaps in solids
Helen R. Eisenberg
,
Roi Baer
*
*
Corresponding author for this work
Institute of Chemistry
Research output
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Contribution to journal
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Article
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peer-review
38
Scopus citations
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Dive into the research topics of 'A new generalized Kohn-Sham method for fundamental band-gaps in solids'. Together they form a unique fingerprint.
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Keyphrases
Band Gap
100%
Generalized Kohn-Sham
100%
Fundamental Band
100%
Local Density Approximation
66%
Range Parameter
66%
Long Distance
33%
Ground State Properties
33%
Banded Structure
33%
Lattice Constant
33%
Experimental Values
33%
Bulk Modulus
33%
Approximation Functional
33%
Approximate Calculation
33%
Optical Dielectric Constant
33%
Agreement with Experiments
33%
Constant Modulus
33%
Chemistry
Band Gap
100%
Local-Density Approximation
66%
Ground State
33%
Silicon
33%
Electronic Band Structure
33%
Bulk Modulus
33%
Dielectric Constant
33%
Lattice Constant
33%
Permittivity
33%
Material Science
Density
100%
Permittivity
50%
Silicon
50%
Elastic Moduli
50%
Lattice Constant
50%
Mathematics
Local Density
100%
Ground State
50%
Lattice Constant
50%
Predicted Value
50%