Accurate Calculation of Excited-State Absorption for Small-to-Medium-Sized Conjugated Oligomers: Multiconfigurational Treatment vs Quadratic Response TD-DFT
Excited-state absorption (ESA) spectra of π-conjugated compounds are frequently
calculated by (quadratic response) time-dependent density functional theory,(QR) TD-DFT …
calculated by (quadratic response) time-dependent density functional theory,(QR) TD-DFT …