most citedExcited state properties of point defects in semiconductors and insulators investigated with time-dependent density functional theory

45 citations · 45 across the 1 of their papers we have counts for

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1 paper

cond-mat.mtrl-sci2023★ 45 cited

Excited state properties of point defects in semiconductors and insulators investigated with time-dependent density functional theory

Yu Jin, Victor Wen-zhe Yu, Marco Govoni +2

We present a formulation of spin-conserving and spin-flip, hybrid time-dependent density functional theory (TDDFT), including the calculation of analytical forces, which allows for…