Energy landscapes
DJ Wales - Atomic clusters and nanoparticles. Agregats atomiques …, 2002 - Springer
This overview of energy landscapes will focus on some rigorous properties of potential
energy surfaces (PES's), especially the symmetry properties of steepest-descent paths, and …
energy surfaces (PES's), especially the symmetry properties of steepest-descent paths, and …
Quantum ergodicity and energy flow in molecules
DM Leitner - Advances in Physics, 2015 - Taylor & Francis
We review a theory for coupled many-nonlinear oscillator systems that describes quantum
ergodicity and energy flow in molecules. The theory exploits the isomorphism between …
ergodicity and energy flow in molecules. The theory exploits the isomorphism between …
Control of toxic metal emissions from combustors using sorbents: a review
This paper constitutes a review of the control of toxic metal emissions using sorbents. The
objective of sorbent-in-jection methods is to effectively capture the metal species (preferably …
objective of sorbent-in-jection methods is to effectively capture the metal species (preferably …
Experimental evidence for quasimelting in small particles
We present experimental evidence which demonstrates for the first time that small particles
on substrates sit in deep potential-energy wells and, once floated out of these, can quasimelt …
on substrates sit in deep potential-energy wells and, once floated out of these, can quasimelt …
Melting and freezing of small argon clusters
DJ Wales, RS Berry - The Journal of chemical physics, 1990 - pubs.aip.org
An investigation of melting, freezing, and coexistence phenomena is presented for small
clusters Ar7, Ars, Ar! 3'and Ar! 4 as specific representative examples. Combining the results …
clusters Ar7, Ars, Ar! 3'and Ar! 4 as specific representative examples. Combining the results …
Calculating the rate of loss of information from chaotic time series by forecasting
DJ Wales - Nature, 1991 - nature.com
DETERMINING whether time series of data from dynamical systems exhibit regular,
stochastic or chaotic behaviour is a goal in a wide variety of problems. For sparse time …
stochastic or chaotic behaviour is a goal in a wide variety of problems. For sparse time …
Chemical Reaction Dynamics: Many‐Body Chaos and Regularity
T Komatsuzaki, RS Berry - Advances in Chemical Physics, 2002 - Wiley Online Library
We begin with a brief overview of canonical perturbation theory and an efficient technique,
so‐called algebraic quantization, for applying this method to a regional Hamiltonian about …
so‐called algebraic quantization, for applying this method to a regional Hamiltonian about …
[BOOK][B] Handbook of nanophysics: principles and methods
KD Sattler - 2010 - taylorfrancis.com
Covering the key theories, tools, and techniques of this dynamic field, Handbook of
Nanophysics: Principles and Methods elucidates the general theoretical principles and …
Nanophysics: Principles and Methods elucidates the general theoretical principles and …
Regularity in chaotic reaction paths. I.
T Komatsuzaki, RS Berry - The Journal of chemical physics, 1999 - pubs.aip.org
We scrutinize the saddle crossings of a simple cluster of six atoms to show (a) that it is
possible to choose a coordinate system in which the transmission coefficient for the classical …
possible to choose a coordinate system in which the transmission coefficient for the classical …
Heat transport in molecules and reaction kinetics: the role of quantum energy flow and localization
DM Leitner - Geometric Structures of Phase Space in …, 2005 - Wiley Online Library
The aim of this article is twofold. We first review our current picture, Local Random Matrix
Theory (LRMT), of quantum energy flow and localization in moderate‐sized molecules …
Theory (LRMT), of quantum energy flow and localization in moderate‐sized molecules …