https://www.selleckchem.com/pr....oducts/wy-14643-piri
In different branches of time-dependent density functional theory (TDDFT), the static and dynamic electron correlation enters in different ways. The standard spin-conserving linear response (LR-TDDFT) methodology includes explicitly the contributions of the singly-excited configurations; however, it relies on an implicit account of the electron correlation through an (approximate) exchange-correlation (XC) functional. In the mixed-reference spin-flip TDDFT (MRSF-TDDFT), a number of doubly-excited (DE) configurations are
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