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physics.chem-ph2026
Symmetry and Topology in Wavepacket Dynamics near Conical Intersections
Christopher Daggett, Jonathan Rawlinson, Lukas Muechler
Whether topology directly shapes chemical dynamics remains an open question in theoretical chemistry. The issue arises because degeneracies of adiabatic electronic states can gener…
physics.chem-ph2026
Irreducible Representations as Multireference Indicators for Diradicaloid Systems
Emmalyn A. Sarver, Lukas Muechler
Multireference behavior in molecules often arises when a small gap between frontier orbitals results in mixing of closed and open-shell configurations. Standard multireference diag…