Related papers: Vibrational response functions for multidimensiona…
Non-adiabatic molecular dynamics simulations are used to analyze the role of different solvent degrees of freedom in the non-radiative relaxation of the first excited state of the hydrated electron. The relaxation occurs through a…
The nonlinear response to an oscillating field is calculated for a kinetic trap model with an exponential density of states and the results are compared to those for the model with a Gaussian density of states. The calculations are limited…
We show that nonlinear response of a quantum oscillator displays antiresonant dips and resonant peaks with varying frequency of the driving field. The effect is a consequence of special symmetry and is related to resonant multiphoton mixing…
We study the response of a large array of coupled nonlinear oscillators to parametric excitation, motivated by the growing interest in the nonlinear dynamics of microelectromechanical and nanoelectromechanical systems (MEMS and NEMS). Using…
A model consisting of a Harmonic Oscillator well and a linear potential, coupled by Dirac delta function, is solved. We find the exact analytical expressions for Green's function for this problem. This Green's functions are used to…
We formulate a rigorous method for calculating a nonadiabatic (frequency-dependent) exchange-correlation (XC) kernel required for correct description of both equilibrium and nonequilibrium properties of strongly correlated systems within…
Assemblies of highly excited Rydberg atoms in an ultracold gas can be set into motion by a combination of van-der-Waals and resonant dipole-dipole interactions. Thereby, the collective electronic Rydberg state might change due to…
The eigenvalues and eigenfunctions of a linear {\alpha}^{2}-dynamo have been computed for different spatial distributions of an isotropic \alpha-effect. Oscillatory solutions are obtained when \alpha exhibits a sign change in the radial…
Flavins are the chromophores in several blue-light-sensitive photoreceptor proteins and act as redox cofactors in many enzymes relevant for biological processes. Despite their biological relevance and numerous, detailed optical…
We consider the dissipative dynamics of a qubit coupled to a nonlinear oscillator (NO) embedded in an Ohmic environment. By treating the nonlinearity up to first order and applying Van Vleck perturbation theory up to second order in the…
The aim of the present contribution is to provide a framework for analyzing and visualizing the correlated many-electron dynamics of molecular systems, where an explicitly time-dependent electronic wave packet is represented as a linear…
A novel mixed quantum-classical approach to simulating nonadiabatic dynamics of molecules at metal surfaces is presented. The method combines the numerically exact hierarchical equations of motion approach for the quantum electronic degrees…
The physics of vibrational kinetics in nitrogen-containing plasma produced by collisions with electrons is studied on the basis of recently derived cross sections and rate coefficients for the resonant vibrational-excitation by…
Non-adiabatic dynamics and conical intersections play a central role in the chemistry of most polyatomic molecules, ranging from isomerization to heterocyclic ring opening and avoided photo-damage of DNA. Studying the underpinning…
We solve for the electronic Raman scattering response functions on an infinite-dimensional hypercubic lattice employing dynamical mean field theory. This contribution extends previous work on the nonresonant response to include the mixed…
Time-dependent density functional theory continues to draw a large number of users in a wide range of fields exploring myriad applications involving electronic spectra and dynamics. Although in principle exact, the predictivity of the…
In this work, we develop an extended dissipaton theory that generalizes the environmental couplings beyond the conventional linear and quadratic forms, enabling the treatment of arbitrary order of bath couplings. Applying this theoretical…
We investigate the dynamics of electrons in the vicinity of the Anderson transition in $d=3$ dimensions. Using the exact eigenstates from a numerical diagonalization, a number of quantities related to the critical behavior of the diffusion…
Diffusion of electrons in two-dimensional disordered systems with spin-orbit interactions is investigated numerically. Asymptotic behaviors of the second moment of the wave packet and of the temporal auto-correlation function are examined.…
Within a nonperturbative dynamical two-body approach - based on coupled equations of motion for the one-body density matrix and the two-body correlation function - we study the distribution of occupation numbers in a correlated system close…