Related papers: Dynamical tunneling in molecules: Quantum routes t…
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…
In the usual quantum tunneling, a low-energy quantum particle penetrates across a physical barrier of higher potential energy, by traversing a classically forbidden region, and finally escapes into another region. In an analogous scenario,…
In this letter we study dynamical tunneling in highly excited symmetric molecules. The role of classical phase space structures like resonances and chaos on the tunneling splittings are illustrated using the water molecule as an example. It…
In generic Hamiltonian systems that are neither completely integrable nor fully chaotic, phase space consists of a mixture of regular and chaotic components. In classical dynamics, transitions between different invariant sets in phase space…
We discover that quantum dynamical tunneling, occurring between phase space regions in a classically forbidden way, can break conserved quantities in pseudointegrable systems. We rigorously prove that a conserved quantity in a class of…
Process of dynamical tunneling in two-dimensional coupled potentials is considered within Bohmian approach to quantum mechanics. Quantum trajectories tend to go along the paths where potential energy increases and then decreases. It leads…
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…
This work establishes a firm relationship between classical nonlinear resonances and the phenomenon of dynamical tunneling. It is shown that the classical phase space with its hierarchy of resonance islands completely characterizes…
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…
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…
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…
Quantum tunneling is the quantum-mechanical effect where a particle tunnels through a classically forbidden region. Double Square Well Potential (DSWP) is a system where this phenomenon is feasible. Numerous phenomena can be illustrated by…
Currently, molecular tunnel junctions are recognized as important active elements of various nanodevices. This gives a strong motivation to study physical mechanisms controlling electron transport through molecules. Electron motion through…
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…
Starting with the equivalence of the rest energy of a particle to an amount of the radiant energy characterized by a frequency, in addition to the usual relativistic transformation rules leading to the wave-particle duality, we investigate…
We analyze the dynamics of the molecular field incoherently pumped by the photoassociation of fermionic atoms and coupled by quantum tunnelling in a double-well potential. The relative phase distribution of the molecular modes in each well…
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…
In single-molecule transistors, we observe inelastic cotunneling features that correspond energetically to vibrational excitations of the molecule, as determined by Raman and infrared spectroscopy. This is a form of inelastic electron…
While the emerging field of vibrational polariton chemistry has the potential to overcome traditional limitations of synthetic chemistry, the underlying mechanism is not yet well understood. Here, we explore how the dynamics of unimolecular…
Coherent control of bound state processes via the interfering overlapping resonances scenario [Christopher et al., J. Chem. Phys. 123, 064313 (2006)] is developed to control intramolecular vibrational redistribution (IVR). The approach is…