Related papers: Intramolecular vibrational energy redistribution a…
We investigate the time evolution process of one selected (initially prepared by optical pumping) vibrational molecular state, coupled to all other intra-molecular vibrational states of the same molecule, and also to its environment.…
Efficient energy transfer often occurs between oscillation modes in a resonator when they are tuned to internal resonance. We design the eigenfrequencies of two vibrational modes of an electromechanical resonator to be close to a ratio of…
The development of accurate tools to characterize Intramolecular Vibrational Redistribution (IVR) is of major interest in chemistry. In this context, surface-enhanced vibrational spectroscopies stand up as well-established techniques to…
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…
We show that a single change in the derivation of the linearized semiclassical-initial value representation (LSC-IVR or classical Wigner approximation) results in a classical dynamics which conserves the quantum Boltzmann distribution. We…
This review presents experimental results on the inter-edge-state transport in the quantum Hall effect, mostly obtained in the regime of high imbalance. The application of a special geometry makes it possible to perform I-V spectroscopy…
The multilayer multiconfiguration time-dependent Hartree method is employed to study vibrationally coupled charge transport in models of single molecule junctions. To increase the efficiency of the simulation method, a representation of the…
We propose a new method to characterize the spatial distribution of particles' vibrations in solids with much lower computational costs compared to the usual normal mode analysis. We excite the specific vibrational mode in a two dimensional…
In a new application of the algebraic Interacting Vector Boson Model (IVBM), we exploit the reduction of its Sp(12,R) dynamical symmetry group to Sp(4,R) x SO(3), which defines basis states with fixed values of the angular momentum L. The…
The coherent-state initial-value representation (IVR) for the semi-classical real-time propagator of a quantum system, developed by Herman and Kluk (HK), is widely used in computational studies of chemical dynamics. On the other hand, the…
The empirical spectra and $E2$ decay rates in $^{110,112,114,116}$Cd are shown to be consistent with a vibrational interpretation for low-lying normal states, coexisting with a single deformed $\gamma$-soft band of intruder states. The…
The redistribution of energy levels between energy bands is studied for a family of simple effective Hamiltonians depending on one control parameter and possessing axial symmetry and energy-reflection symmetry. Further study is made on the…
While quantum computing algorithms have been widely applied for electronic structure calculations, applications to molecular dynamics remain scarce. Complex and varied landscapes of molecular potential energy surfaces give rise to…
Vibrational motions in electronically excited states can be observed by either time and frequency resolved infrared absorption or by off resonant stimulated Raman techniques. Multipoint correlation function expressions are derived for both…
A combined approach that uses the vibrational self-consistent field (VSCF) and vibrational configuration interaction (VCI) method together with the semiclassical instanton theory was developed to study vibrational tunneling spectra of…
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…
We investigate the dynamics of binary mixtures of inelastic particles through event-driven molecular dynamics simulations, focusing on velocity autocorrelation functions (VACFs). The study examines two distinct particle types under varying…
Simple states, such as isobaric analog states or giant resonances, embedded into continuum are typical for mesoscopic many-body quantum systems. Due to the coupling to compound states in the same energy range, a simple mode acquires a…
We present a general two-dimensional model of conical intersection between metastable states that are vibronically coupled not only directly but also indirectly through a virtual electron in the autodetachment continuum. This model is used…
Vibrational wavepacket dynamics in the ground (X) and excited (B) electronic states of iodine under impulsive-pump/broadband-probe excitation are revisited. A method for accurate chirp correction, necessary to determine the zero time for…