تصفح حسب المؤلف "Bokareva, O. S."
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Optimized long-range corrected density functionals for electronic and optical properties of bare and ligated CdSe quantum dots
Bokareva, O. S.; Shibl, M. F.; Al-Marri, M. J.; Pullerits, T.; Kühn, O. ( American Chemical Society , 2017 , Article)The reliable prediction of optical and fundamental gaps of finite size systems using density functional theory requires to account for the potential self-interaction error, which is notorious for degrading the description ...