07
Understanding the tunnelling in molecules with classical trajectories and rigorous asymptotic analysis.
We introduce a new approach for calculating perturbative corrections to the ring-polymer instanton approximation to tunneling splittings (RPI+PC) by computing higher-order terms in the asymptotic expansion in ℏ. Our method improves upon the existing instanton theory approach by using information on the third and fourth derivatives of the potential along the tunneling path to include additional anharmonic effects
by Gabriel Laude