Related papers: A combined R-matrix eigenstate basis set and finit…
In this work, we prove rigorous error estimates for a hybrid method introduced in [15] for solving the time-dependent radiation transport equation (RTE). The method relies on a splitting of the kinetic distribution function for the…
Methods of quantum nuclear wave-function dynamics have become very efficient in simulating large isolated systems using the time-dependent variational principle (TDVP). However, a straightforward extension of the TDVP to the density matrix…
One of the unitary forms of the quantum mechanical time evolution operator is given by Cayley's approximation. A numerical implementation of the same involves the replacement of second derivatives in Hamiltonian with the three-point…
We study the time evolution of a density matrix in a quantum mechanical system described by an ergodic magnetic Schr\"odinger operator with singular magnetic and electric potentials, the electric field being introduced adiabatically. We…
We present a code for solving the single-particle, time-independent Schr\"odinger equation in two dimensions. Our program utilizes the imaginary time propagation (ITP) algorithm, and it includes the most recent developments in the ITP…
In this paper, we present a variational treatment of the linear dependence for a non-orthogonal time-dependent basis set in solving the Schr\"odinger equation. The method is based on: i) the definition of a linearly independent working…
We present an exact single-electron picture that describes the correlated electron dynamics in strong laser fields. Our approach is based on the factorization of the electronic wavefunction as a product of a marginal and a conditional…
This paper introduces a new boundary element formulation for transient electromagnetic scattering by homogeneous dielectric objects based on the time-domain PMCHWT equation. To address dense-mesh breakdown, a multiplicative Calderon…
In this paper, we present a new space-time Petrov-Galerkin-like method. This method utilizes a mixed formulation of Tensor Train (TT) and Quantized Tensor Train (QTT), designed for the spectral element discretization (Q1-SEM) of the…
The transfer-matrix methodology is used to solve linear systems of differential equations, such as those that arise when solving Schr\"odinger's equation, in situations where the solutions of interest are in the continuous part of the…
The time-dependent restricted-active-space self-consistent-field singles (TD-RASSCF-S) method is presented for investigating TD many-electron dynamics in atoms and molecules. Adopting the SCF notion from the muticonfigurational TD…
The ability to emit and control single electrons in a dynamical manner enables their use in electron quantum optics and sensing. To characterize the electron states emitted with energy far above the Fermi energy, a dynamic barrier has been…
We present a proof of concept for solving a 1+1D complex-valued, delay partial differential equation (PDE) that emerges in the study of waveguide quantum electrodynamics (QED) by adapting the finite-difference time-domain (FDTD) method. The…
This work considers numerical methods for the time-dependent Schr\"{o}dinger equation of incommensurate systems. By using a plane wave method for spatial discretization, the incommensurate problem is lifted to a higher dimension that…
The time-dependent variational principle is used to optimize the linear and nonlinear parameters of Gaussian basis functions to solve the time-dependent Schrodinger equation in 1 and 3 dimensions for a one-body soft Coulomb potential in a…
Spectral methods for solving partial differential equations (PDEs) and stochastic partial differential equations (SPDEs) often use Fourier or polynomial spectral expansions on either uniform and non-uniform grids. However, while very widely…
Recent advances in attosecond science have made it increasingly important to develop stable, reliable and accurate algorithms and methods to model the time evolution of atoms and molecules in intense laser fields. A key process in…
Two Hybridizable Discontinuous Galerkin (HDG) schemes for the solution of Maxwell's equations in the time domain are presented. The first method is based on an electromagnetic diffusion equation, while the second is based on Faraday's and…
We present a program to simulate the dynamics of a wave packet interacting with a time-dependent potential. The time-dependent Schr\"odinger equation is solved on a one-, two-, or three-dimensional spatial grid using the split operator…
We propose a boundary integral formulation for the dynamic problem of electromagnetic scattering and transmission by homogeneous dielectric obstacles. In the spirit of Costabel and Stephan, we use the transmission conditions to reduce the…