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research article
Accurate band gaps of extended systems via efficient vertex corrections in GW
2015
We propose the use of an approximate bootstrap exchange-correlation kernel to account for vertex corrections in self-consistent GW calculations. We show that the approximate kernel gives accurate band gaps for a variety of extended systems, including simple sp semiconductors, wide band-gap insulators, and transition-metal compounds with either closed or open d shells. The accuracy is comparable with that obtained via the solution of the Bethe-Salpeter equation but only at a fraction of the computational cost.
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Name
PhysRevB.92.041115.pdf
Type
publisher
Access type
openaccess
License Condition
copyright
Size
200.89 KB
Format
Adobe PDF
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e266eb7ed22eeeaba83ea0f102167648