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 …

[图书][B] Lectures on mechanics

JE Marsden - 1992 - books.google.com
The use of geometric methods in classical mechanics has proven fruitful, with wide
applications in physics and engineering. In this book, Professor Marsden concentrates on …

HCP CPH Isomerization: Caught in the Act

H Ishikawa, RW Field, SC Farantos… - Annual review of …, 1999 - annualreviews.org
▪ Abstract In this overview we discuss the vibrational spectrum of phosphaethyne, HCP, in its
electronic ground state, as revealed by complementary experimental and theoretical …

Approximate constants of motion for vibrational spectra of many‐oscillator systems with multiple anharmonic resonances

ME Kellman - The Journal of chemical physics, 1990 - pubs.aip.org
A theory of approximate dynamical constants of motion is presented for vibrational (and
implicitly, rovibrational) spectra of polyatomics with multiple nonlinear resonances. The …

Molecular spectroscopy and dynamics: a polyad-based perspective

M Herman, DS Perry - Physical Chemistry Chemical Physics, 2013 - pubs.rsc.org
The efficiency and insight of global, polyad-based modeling in overtone spectroscopy and
dynamics is demonstrated. Both vibration and vibration–rotation polyads are considered …

Quantum information scrambling in molecules

C Zhang, PG Wolynes, M Gruebele - Physical Review A, 2022 - APS
Out-of-time-order correlators (OTOCs) can be used to probe how quickly a quantum system
scrambles information when the initial conditions of the dynamics are changed. In sufficiently …

The dance of molecules: New dynamical perspectives on highly excited molecular vibrations

ME Kellman, V Tyng - Accounts of chemical research, 2007 - ACS Publications
At low energies, molecular vibrational motion is described by the normal modes model. This
model breaks down at higher energy, with strong coupling between normal modes and …

[图书][B] Encyclopedia of chemical physics and physical chemistry

JH Moore, ND Spencer - 2001 - api.taylorfrancis.com
Jacket illustration. CryoSEM micrograph of a freeze-fractured yeast cell. Specimen was
prepared according to Walther et al (1995) and imaged using back-scattered electrons …

Highly excited motion in molecules: Saddle-node bifurcations and their fingerprints in vibrational spectra

M Joyeux, SC Farantos, R Schinke - The Journal of Physical …, 2002 - ACS Publications
The vibrational motion of highly excited molecules is discussed in terms of exact quantum
and classical mechanics calculations, employing global potential energy surfaces, as well …

Catastrophe map classification of the generalized normal–local transition in Fermi resonance spectra

L Xiao, ME Kellman - The Journal of chemical physics, 1990 - pubs.aip.org
Catastrophe theory is used to classify the dynamics of spectra of resonantly coupled
vibrations, based on earlier work on the bifurcation structure of the Darling–Dennison and 2 …