相关论文: A discrete time-dependent method for metastable at…

Phase field methods have been widely used to study phase transitions and polarization switching in ferroelectric thin films. In this paper, we develop an efficient numerical scheme for the variational phase field model based on variational…

A simple analytical solution for the problem of multiphoton detachment from negative ions by a linearly polarized laser field is found. It is valid in the wide range of intensities and frequencies of the field, from the perturbation theory…

We build a transient multidimensional multiphysical model based on continuum theories, involving the coupled mechanical, thermal and electrochemical phenomena occurring simultaneously in the discharge or charge of lithium-ion batteries. The…

Based on numerical solutions of the time-dependent Schr\"odinger equation for either one or two active electrons, we propose a method for observing instantaneous level shifts in an oscillating strong infrared (IR) field in time, using a…

In this paper, we consider the three dimensional Vlasov equation with an inhomogeneous, varying direction, strong magnetic field. Whenever the magnetic field has constant intensity, the oscillations generated by the stiff term are periodic.…

This work considers charged systems described by the modified Poisson--Nernst--Planck (PNP) equations, which incorporate ionic steric effects and the Born solvation energy for dielectric inhomogeneity. Solving the steady-state modified PNP…

In this work we present the theoretical framework for the solution of the time-dependent Schr\"{o}dinger equation (TDSE) of atomic and molecular systems under strong electromagnetic fields with the configuration space of the electron's…

We consider the calculations of photoionization spectra and core resonances of open-shell systems using range-separated time-dependent density-functional theory. Specifically, we use the time-dependent range-separated hybrid (TDRSH) scheme,…

When a chemical bond is broken, the molecular structure undergoes a transformation. An ideal experiment should probe the change in the electronic and nuclear structure simultaneously. Here, we present a method for the simultaneous…

We study nonequilibrium steady states of the one-dimensional discrete nonlinear Schroedinger equation. This system can be regarded as a minimal model for stationary transport of bosonic particles like photons in layered media or cold atoms…

A fast and stable numerical method is formulated to compute the time evolution of a wave function in a magnetic field by solving the time-dependent Schroedinger equation. This computational method is based on the finite element method in…

We propose a non-perturbative numerical approach to calculate the spectrum of a many-body Hamiltonian with time and momentum resolution by exactly recreating a scattering event using the time-dependent Schr\"odinger equation. Akin an actual…

We calculate accurate eigenvalues and eigenfunctions of the Schr\"odinger equation for a two-dimensional quantum dipole. This model proved useful for the study of elastic effects of a single edge dislocation. We show that the Rayleigh-Ritz…

By deriving the 3/2 dimensional Hamiltonian equations for electrons in the intense laser radiation and quasi-static transverse electric and longitudinal magnetic fields, the electron heating mechanisms are examined both for low harmonic…

Strong-field photoelectron momentum imaging of the prototypical biomolecule indole was disentangled in a combined experimental and computational approach. Experimentally, strong control over the molecules enabled the acquisition of…

The Swift-Hohenberg equation as a central nonlinear model in modern physics has a gradient flow structure. Here we introduce fully discrete discontinuous Galerkin (DG) schemes for a class of fourth order gradient flow problems, including…

Time-dependent Schroedinger's equation is integrated for a one-dimensional strongly-correlated electron system driven by large electric fields. For larger electric fields, many-body Landau-Zener tunneling takes place at anti-crossings of…

This hybrid method (FE-DVR), introduced by Resigno and McCurdy, Phys. Rev. A 62, 032706 (2000), uses Lagrange polynomials in each partition, rather than "hat" functions or Gaussian functions. These polynomials are discrete variable…

Optimal exploitation of supercomputing resources for the evaluation of electrostatic forces remains a challenge in molecular dynamics simulations of very large systems. The most efficient methods are currently based on particle-mesh Ewald…

The long-time asymptotics is analyzed for finite energy solutions of the 1D discrete Schr\"odinger equation coupled to a nonlinear oscillator. The coupled system is invariant with respect to the phase rotation group. For initial states…