First principles correction scheme for linear-response time-dependent density...
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Linear-response time-dependent density functional theory (LR-TDDFT) for core level spectroscopy using standard local functionals suffers from self-interaction error and a lack...
用于芯能级光谱学研究、采用标准局域泛函的线性响应含时密度泛函理论(Linear-response time-dependent density functional theory,LR-TDDFT)存在自相互作用误差以及……



