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Generalized-gradient approximations to density-functional theory: A comparative study for atoms and solids
Andrea Dal Corso
, Alfredo Pasquarello
, Alfonso Baldereschi
,
Roberto Car
Research output
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Article
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peer-review
235
Scopus citations
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Keyphrases
All-electron
16%
Approximation Results
16%
Approximation Scheme
16%
Bulk Modulus
16%
Cohesive Energy
16%
Density Functional Theory
100%
Diamond
16%
Experimental Values
33%
Gallium Arsenide
16%
Generalized Gradient Approximation
100%
Lattice Constant
16%
Local Density Approximation
100%
Phonon Frequencies
16%
Pseudopotential Approach
16%
Pseudopotential Calculations
16%
Total Energy
16%
Transition Pressure
16%
Zone Centre Phonons
16%
Material Science
Density
100%
Diamond
12%
Elastic Moduli
12%
Gallium Arsenide
12%
Lattice Constant
12%
Tin
12%
Engineering
Pseudopotential Calculation
16%
Chemistry
Cohesive Energy
16%