2 papers
physics.chem-ph2026
First-order Degenerate Symmetry-Adapted Perturbation Theory
Dominik Cieśliński, Tijs Karman, Anthony Scemama +2
Degenerate electronic states govern the photophysics of excimers and the molecular dynamics near conical intersections. In regions where potential energy surfaces are degenerate or…
physics.chem-ph2025
First-Order Symmetry-Adapted Perturbation Theory with Double Exchange for Multireference Systems
Dominik Cieśliński, Michał Przybytek, Grzegorz Chałasiński +1
We extend first-order multiconfigurational symmetry-adapted perturbation theory, SAPT(MC), [Hapka M. et al. JCTC, 2021, 17], to account for double-exchange effects, where up to two…