2 papers
quant-ph2025
Nonadiabatic ImF instanton rate theory
Rhiannon A. Zarotiadis, Jeremy O. Richardson
Semiclassical instanton theory captures nuclear quantum effects such as tunnelling in chemical reactions. It was originally derived from two different starting points, the flux cor…
physics.chem-ph2025
Nonadiabatic ring-polymer instanton rate theory: a generalised dividing-surface approach
Rhiannon A. Zarotiadis, Joseph E. Lawrence, Jeremy O. Richardson
Constructing an accurate approximation to nonadiabatic rate theory which is valid for arbitrary values of the electronic coupling has been a long-standing challenge in theoretical…