`Session R03

Peifei Huo Rochester: quasi-dybatics state propagation

Filipp Furche : Conical intersections have the wrong dimensionality / 0 slode with single Ensemble DFT instead of single state DFT for conical intersections Pure state thoeies for degemerate ground stastes are fundamentally incorrect Ensemble theory must be used even at zero temperature’

Brillouin condition (??) does not hold for degenerate stastes resulting dimnesnitionality of CIs should be correct

Correct description of CIs apparently does not require a multi configurational method First order perurbation theory on degenerate level (only correct in the infinitesimal limit around conical intersection) https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.119.033003