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We study the intramolecular vibrational energy redistribution (IVR) dynamics of an effective spectroscopic Hamiltonian describing the four coupled high frequency modes of CDBrClF. The IVR dynamics ensuing from nearly isoenergetic…
In this work we study the competition and correspondence between the classical and quantum routes to intramolecular vibrational energy redistribution (IVR) in a three degrees of freedom model effective Hamiltonian. Specifically, we focus on…
Numerous experimental and theoretical studies have established that intramolecular vibrational energy redistribution (IVR) in isolated molecules has a heirarchical tier structure. The tier structure implies strong correlations between the…
We report a fully quantum-dynamical study of the intramolecular vibrational energy redistribution (IVR) in the electronic ground state of carbonyl sulfide (OCS), which is a prototype of an isolated many-body quantum system with strong…
This work explores the possibility of controlling the dissociation of a monochromatically driven one-dimensional Morse oscillator by recreating barriers, in the form of invariant tori with irrational winding ratios, at specific locations in…
Intramolecular vibrational energy redistribution (IVR) impacts the dynamics of reactions in a profound way. Theoretical and experimental studies are increasingly indicating that accounting for the finite rate of energy flow is critical for…
Intermolecular dynamics of highly excited DCO (X^2A') is studied from a classical-quantum perspective using the effective spectroscopic Hamiltonian proposed recently by Trollch and Temps (Z. Phy. Chem. 215, 207 (2001)). This work focuses on…
We study the effect of an internal rotor on the classical and quantum intramolecular vibrational energy redistribution (IVR) dynamics of a model system with three degrees of freedom. The system is based on a Hamiltonian proposed by Martens…
The mixed density operator for coarsegrained eigenlevels of a static Hamiltonian is represented in phase space by the spectral Wigner function, which has its peak on the corresponding classical energy shell. The action of trajectory…
We explore the classical dynamics of two interacting rotating dipoles that are fixed in the space and exposed to an external homogeneous electric field. Kinetic energy transfer mechanisms between the dipoles are investigated varying both…
The dynamics of hybrid systems -- i.e. ones in which classical and quantum degrees of freedom co-exist and interact -- feature both diffusion in the classical sector and decoherence in the quantum state. In this article, we will consider…
We investigated the time domain nonadiabatic dynamics of NO2 on the coupled X2A1 and A2B2 electronic states by launching wave packets on the excited electronic state and focused on the evolution at long times (t>200 fs), which has received…
A numerical simulation of vibrational excitation of molecules was devised, and used to excite computational models of common molecules into a prescribed, pure, normal vibration mode in the ground electronic state, with varying, controlable…
Driven classical self-sustained oscillators have been studied extensively in the context of synchronization. Using the master equation, this work considers the classically driven generalized quantum Rayleigh-van der Pol oscillator, which is…
We study the transfer of energy through a network of coupled oscillators, which represents a minimalmicroscopic power grid connecting multiple active quantum machines. We evaluate the resulting energy currentsin the macroscopic, thermal,…
We extend the Mixed Quantum-Classical Initial Value Representation (MQC-IVR), a semiclassical method for computing real-time correlation functions, to electronically nonadiabatic systems using the Meyer-Miller-Stock-Thoss (MMST) Hamiltonian…
We study nonequilibrium steady states of lattice gases with nearest-neighbor interactions that are driven between two reservoirs. Density profiles in these systems exhibit oscillations close to the reservoirs. We demonstrate that an…
Understanding how the effectiveness of natural photosynthetic energy harvesting systems arises from the interplay between quantum coherence and environmental noise represents a significant challenge for quantum theory. Recently it has begun…
The transverse Ising Model (TIM) in one dimension is the simplest model which exhibits a quantum phase transition (QPT). Quantities related to quantum information theoretic measures like entanglement, quantum discord (QD) and fidelity are…
This paper introduces a physically-intuitive notion of inter-area dynamics in systems comprising multiple interconnected energy conversion modules. The idea builds on an earlier general approach of setting their structural properties by…