Our first paper has been accepted in J. Chem. Phys. Communications.
In this work, we proposed to use an excited state as a reference, instead of the ground state, and perform excited-state calculations on top of it to account for the de-excitation and relaxation processes. This novel theory improves the description of both ground and excited states within the mean-field framework. https://doi.org/10.1063/5.0243710
Dec. 10, 2024