22 citations · 32 across the 2 of their papers we have counts for
4 papers
Improved torque estimator for condensed-phase quasicentroid molecular dynamics
George Trenins, Christopher Haggard, Stuart C. Althorpe
We describe improvements to the quasicentroid molecular dynamics (QCMD) path-integral method, which was developed recently for computing the infrared spectra of condensed-phase sys…
Nonadiabatic instanton rate theory beyond the golden-rule limit
George Trenins, Jeremy O. Richardson
Fermi's golden rule describes the leading-order behaviour of the reaction rate as a function of the diabatic coupling. Its asymptotic limit is the semiclass…
Path-integral dynamics of water using curvilinear centroids
George Trenins, Michael J. Willatt, Stuart C. Althorpe
We develop a path-integral dynamics method for water that resembles centroid molecular dynamics (CMD), except that the centroids are averages of curvilinear, rather than cartesian,…
Mean-field Matsubara dynamics: Analysis of path-integral curvature effects in rovibrational spectra
George Trenins, Stuart C. Althorpe
It was shown recently that smooth and continuous "Matsubara" phase-space loops follow a quantum-Boltzmann-conserving classical dynamics when decoupled from non-smooth distributions…