Related papers: Intramolecular vibrational energy redistribution a…
We study the two-dimensional motion of an active Brownian particle of speed $v_0$, with intermittent directional reversals in the presence of a harmonic trap of strength $\mu$. The presence of the trap ensures that the position of the…
In this work we set up a model Hamiltonian to study the excited state quantum dynamics of 1,1-difluoroethylene, a molecule that has equivalent atoms exchanged by a torsional symmetry operation leading to equivalent minima on the potential…
Coherently displaced harmonic oscillator number states of a harmonically bound ion can be coupled to two internal states of the ion by a laser-induced motional sideband interaction. The internal states can subsequently be read out in a…
We expand iterative numerically-exact influence functional path-integral tools and present a method capable of following the nonequilibrium time evolution of subsystems coupled to multiple bosonic and fermionic reservoirs simultaneously.…
We performed molecular dynamics simulations on a one-dimensional diatomic gas to investigate the possible long time scale inherent in heterogeneous Hamiltonian systems. The exponentially long time scale for energy sharing between the…
We explore the velocity distributions in a vibrated binary granular gas system, focusing on how these distributions are influenced by the coefficient of restitution (CoR) and the inelasticity of particle collisions. Through molecular…
Here is presented an original program based on molecular Schrodinger equations. It is dedicated to target specific states of infrared vibrational spectrum in a very precise way with a minimal usage of memory. An eigensolver combined with a…
Effective descriptions accounting for the evolution of quantum systems that are acted on by a bath are desirable. As the number of bath degrees of freedom increases and full quantum simulations turn out computationally prohibitive, simpler…
Selected resonance states of the deuterated formyl radical in the electronic ground state ($\widetilde{X}\,{}^2A'$) are computed using our recently introduced dynamically pruned discrete variable representation (DP-DVR) [H. R. Larsson, B.…
In the present work, the analytical description of an intermolecular vibrational energy transfer, analyzed by two dimensional infrared spectroscopy, is established. The energy transfer process takes place between the dark combination states…
Vibrational properties of molecules are of widespread interest and importance in chemistry and biochemistry. The reliability of widely employed approximate computational methods is questioned here against the complex experimental spectrum…
Vibrational degrees of freedom in trapped-ion systems have recently been gaining attention as a quantum resource, beyond the role as a mediator for entangling quantum operations on internal degrees of freedom, because of the large available…
We study the energy redistribution of interacting bosons in a ring-shaped quantum trimer as the coupling strength between neighboring sites of the corresponding Bose-Hubbard Hamiltonian undergoes a sudden change dk. Our analysis is based on…
Langevin dynamics has become a popular tool to simulate the Boltzmann equilibrium distribution. When the repartition of the Langevin equation involves the exact realization of the Ornstein-Uhlenbeck noise, in addition to the conventional…
A two-field Hamiltonian gyrofluid model for kinetic Alfv\'en waves retaining ion finite Larmor radius corrections, parallel magnetic field fluctuations and electron inertia, is used to study turbulent cascades from the MHD to the sub-ion…
We show that a vibrational interpretation and good U(5) symmetry are maintained for the majority of low-lying normal states in $^{110,112,114,116}$Cd isotopes, consistent with the empirical data. The observed deviations from this paradigm…
We have developed a formulation of density functional perturbation theory for the calculation of vibrational frequencies in molecules and solids, which uses numerical atomic orbitals as a basis set for the electronic states. The (harmonic)…
The systems with small binding energies and widely distributed in space bound-state wave functions are considered. Because the interaction potential is weak and rather localized compared to the characteristic sizes of wave functions of…
By means of two-dimensional contact dynamics simulations, we analyze the vibrational dynamics of a confined granular layer in response to harmonic forcing. We use irregular polygonal grains allowing for strong variability of solid fraction.…
Amorphous solids are dynamically inhomogeneous due to in lack of translational symmetry and hence exhibit vibrational properties different from crystalline solids with anomalous low frequency vibrational density of states (VDOS) and related…