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 …

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 …

Control of toxic metal emissions from combustors using sorbents: a review

P Biswas, CY Wu - Journal of the Air & Waste Management …, 1998 - Taylor & Francis
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 …

Experimental evidence for quasimelting in small particles

PM Ajayan, LD Marks - Physical review letters, 1989 - APS
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 …

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 …

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 …

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 …

[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 …

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 …

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 …