4.6 Article

Dielectric properties and excitons for extended systems from hybrid functionals

Journal

PHYSICAL REVIEW B
Volume 78, Issue 12, Pages -

Publisher

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.78.121201

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We have calculated static and dynamic response properties for several semiconducting and insulating solids using hybrid functionals, which admix a small fraction of nonlocal Fock exchange to an otherwise semilocal density functional. The calculated static and dynamic properties are clearly improved compared to conventional semilocal density functionals; in particular the oscillator strength at low energy excitations is well described.

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