Journal
PHYSICAL REVIEW B
Volume 92, Issue 3, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.92.035202
Keywords
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Funding
- NSF [DMR-1408904]
- GENCI [0544]
- Division Of Materials Research
- Direct For Mathematical & Physical Scien [1408904] Funding Source: National Science Foundation
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We present a screened exact-exchange (SXX) method for the efficient and accurate calculation of the optical properties of solids, where the screening is achieved through the zero-wave-vector limit of the inverse dielectric function. The SXX approach can be viewed as a simplification of the Bethe-Salpeter equation (BSE) or, in the context of time-dependent density-functional theory, as a first step towards a new class of hybrid functionals for the optical properties of solids. SXX performs well for bound excitons and continuum spectra in both small-gap semiconductors and large-gap insulators, with a computational cost much lower than that of the BSE.
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