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Article
Roaming at Constant Kinetic Energy: Chesnavich’s Model and the Hamiltonian Isokinetic Thermostat
We consider the roaming mechanism for chemical reactions under the nonholonomic constraint of constant kinetic energy. Our study is carried out in the context of the Hamiltonian isokinetic thermostat applied t...
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Article
Dynamics on the Double Morse Potential: A Paradigm for Roaming Reactions with no Saddle Points
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 surrounded by an unbounded flat ...
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Chapter
Roaming dynamics in ketene isomerization
A reduced two-dimensional model is used to study ketene isomerization reaction. In light of recent results by Ulusoy et al. (J Phys Chem A 117, 7553, 2013), the present work focuses on the generalization of th...
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Article
Open AccessRoaming dynamics in ketene isomerization
A reduced two-dimensional model is used to study ketene isomerization reaction. In light of recent results by Ulusoy et al. (J Phys Chem A 117, 7553, 2013), the present work focuses on the generalization of the ...
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Article
On the Statistical Mechanics of Non-Hamiltonian Systems: The Generalized Liouville Equation, Entropy, and Time-Dependent Metrics
Several questions in the statistical mechanics of non-Hamiltonian systems are discussed. The theory of differential forms on the phase space manifold is applied to provide a fully covariant formulation of the ...
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Article
Geometric Approach to Response Theory in Non-Hamiltonian Systems
The theory of differential forms and time-dependent vector fields on manifolds is applied to formulate response theory for non-Hamiltonian systems. This approach is manifestly coordinate-free, and provides a t...
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Chapter
Analysis of Quantum Eigenstates in a 3-Mode System
We study the quantum eigenstates of a three degree of freedom spectroscopic Hamiltonian for the H2O molecule. Using the classical resonance zones as a template, we are able to understand and organize the energy l...
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Chapter and Conference Paper
Uniform Quantization of Multidimensional Systems
The need for uniform semiclassical quantization of multidimensional nonseparable systems is briefly reviewed. A numerical method for uniform quantization of states for resonant two degree of freedom coupled os...
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Chapter and Conference Paper
Collective and Independent-Particle Motion in Simple Atoms and Molecules: a Unification?
The evidence is reviewed that implies electrons in doubly-excited states of helium behave like the atoms of a linear triatomic molecule. The relation between molecule-like collective motion and independent- pa...
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Chapter and Conference Paper
The Symmetry Properties of Nonrigid Molecules
The problem of the symmetry properties of molecules has a long history1–4, yet the subject continues to attract considerable attention.5–4
