Fig. 7 BP vectors of the twisted-BLA MECI of PSB3 calculated using MRCISD,
SSR-BH&HLYP, SF-TD-BH&HLYP, and LR-TD-BH&HLYP methods
Fig. 8 S 0 (blue) and S 1 (red) PES profiles near the tw-BLA MECI of PSB3. See caption of Fig. 5
for the legend
Description of Conical Intersections with Density Functional Methods
469
SSR-BH&HLYP, SF-TD-BH&HLYP, and LR-TD-BH&HLYP methods
Fig. 8 S 0 (blue) and S 1 (red) PES profiles near the tw-BLA MECI of PSB3. See caption of Fig. 5
for the legend
Description of Conical Intersections with Density Functional Methods
469