73 citations · 513 across the 21 of their papers we have counts for
9 papers · 1 filter
Nonadiabatic semiclassical dynamics in the mixed quantum-classical initial value representation
Matthew S. Church, Timothy J. H. Hele, Gregory S. Ezra +1
We extend the Mixed Quantum-Classical Initial Value Representation (MQC-IVR), a semiclassical method for computing real-time correlation functions, to electronically nonadiabatic s…
Dynamics on the Double Morse Potential: A Paradigm for Roaming Reactions with no Saddle Points
Barry K. Carpenter, Gregory S. Ezra, Stavros C. Farantos +2
In this paper we analyze a two degree of freedom Hamiltonian system constructed from two planar Morse potentials. The resulting potential energy surface has two potential wells sur…
Phase space barriers and dividing surfaces in the absence of critical points of the potential energy: Application to roaming in ozone
Frédéric A. L. Mauguière, Peter Collins, Zeb C. Kramer +4
We examine the phase space structures that govern reaction dynamics in the absence of critical points on the potential energy surface. We show that in the vicinity of hyperbolic in…
Nonstatistical dynamics on the caldera
Peter Collins, Zeb C. Kramer, Barry K. Carpenter +2
We explore both classical and quantum dynamics of a model potential exhibiting a caldera: that is, a shallow potential well with two pairs of symmetry related index one saddles ass…
Roaming dynamics in Ketene isomerization
Frédéric A. L. Mauguière, Peter Collins, Gregory S. Ezra +2
A reduced two dimensional model is used to study Ketene isomerization reaction. In light of recent results by Ulusoy \textit{et al.} [J.\ Phys.\ Chem.\ A {\bf 117}, 7553 (2013)], t…
Roaming dynamics in ion-molecule reactions: phase space reaction pathways and geometrical interpretation
F. A. L. Mauguière, P. Collins, G. S. Ezra +2
A model Hamiltonian for the reaction CH CH + H, parametrized to exhibit either early or late inner transition states, is employed to investigate the dynamic…