73 citations · 513 across the 21 of their papers we have counts for
5 papers · 1 filter
Index k saddles and dividing surfaces in phase space, with applications to isomerization dynamics
Peter Collins, Gregory S. Ezra, Stephen Wiggins
In this paper we continue our studies of the phase space geometry and dynamics associated with index k saddles (k > 1) of the potential energy surface. Using normal form theory, we…
Phase space structure and dynamics for the Hamiltonian isokinetic thermostat
Peter Collins, Gregory S. Ezra, Stephen Wiggins
We investigate the phase space structure and dynamics of a Hamiltonian isokinetic thermostat, for which ergodic thermostat trajectories at fixed (zero) energy generate a canonical…
Bulgac-Kusnezov-Nosé-Hoover thermostats
Alessandro Sergi, Gregory S. Ezra
In this paper we formulate Bulgac-Kusnezov constant temperature dynamics in phase space by means of non-Hamiltonian brackets. Two generalized versions of the dynamics are similarly…
Microcanonical rates, gap times, and phase space dividing surfaces
Gregory S. Ezra, Holger Waalkens, Stephen Wiggins
The general approach to classical unimolecular reaction rates due to Thiele is revisited in light of recent advances in the phase space formulation of transition state theory for m…
Impenetrable Barriers in Phase Space for Deterministic Thermostats
Gregory S. Ezra, Stephen Wiggins
We investigate the relation between the phase space structure of Hamiltonian and non-Hamiltonian deterministic thermostats. We show that phase space structures governing reaction d…