Construct · 1 fields · 1 citations

PBE functional: a standalone construct

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PBEfunctional1 CONSTRUCTPBE functionalPERDEW · QUANTUM CHEMISTRY

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Quantum chemistry

a nonempirical generalized gradient functional built to satisfy exact physical constraints, widely used for molecules and solids.

In quantum chemistry, PBE functional refers to a nonempirical generalized gradient functional built to satisfy exact physical constraints, widely used for molecules and solids. This meaning comes from Perdew (1996) in Physical Review Letters.[1]

Unit
Recovery means
Measured by

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Nearby constructs

gradient4 fields · 4 citationsjingle · one word, four constructsquantum4 fields · 7 citationsjingle · one word, four constructs

References

  1. Perdew, J. P., Burke, K., & Ernzerhof, M. (1996). Generalized Gradient Approximation Made Simple. Physical Review Letters, 77(18), 3865-3868. https://doi.org/10.1103/physrevlett.77.3865

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