14 citations · 25 across the 4 of their papers we have counts for
4 papers
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…
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…
Holomorphic Density Functional Theory
Rhiannon A. Zarotiadis, Hugh G. A. Burton, Alex J. W. Thom
Self-consistent-field (SCF) approximations formulated using Hartree-Fock (HF) or Kohn-Sham Density Functional Theory (KS-DFT) both have the potential to yield multiple solutions. H…
Revisiting nuclear tunnelling in the aqueous ferrous-ferric electron transfer
Wei Fang, Rhiannon A. Zarotiadis, Jeremy O. Richardson
The aqueous ferrous-ferric system provides a classic example of an electron-transfer process in solution. There has been a long standing argument spanning more than three decades a…