Related papers: Imaginary time propagation code for large-scale tw…
We show that a pseudospectral representation of the wavefunction using multiple spatial domains of variable size yields a highly accurate, yet efficient method to solve the time-dependent Schr\"odinger equation. The overall spatial domain…
The treatment of the time-independent Schrodinger equation in real-space is an indispensable part of introductory quantum mechanics. In contrast, the Schrodinger equation in momentum space is an integral equation that is not readily…
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…
Starting from a time-dependent Schr\"odinger equation, stationary states of 3D central potentials are obtained. An imaginary-time evolution technique coupled with the minimization of energy expectation value, subject to the orthogonality…
We propose and analyze a multiscale time integrator Fourier pseudospectral (MTI-FP) method for solving the Klein-Gordon (KG) equation with a dimensionless parameter $0<\varepsilon\leq1$ which is inversely proportional to the speed of light.…
We explore the possibility of modifying the Lewis-Riesenfeld method of invariants developed originally to find exact solutions for time-dependent quantum mechanical systems for the situation in which an exact invariant can be constructed,…
We examine the performance of various time propagation schemes using a one-dimensional model of the hydrogen atom. In this model the exact Coulomb potential is replaced by a soft-core interaction. The model has been shown to be a reasonable…
We review an explicit approach to obtaining numerical solutions of the Schr\"odinger equation that is conceptionally straightforward and capable of significant accuracy and efficiency. The method and its efficacy are illustrated with…
We study the theory of scattering for a Schr"odinger equation in an external time dependent magnetic field in the Coulomb gauge, in space dimension 3. The magnetic vector potential is assumed to satisfy decay properties in time that are…
Linear combinations of complex gaussian functions, where the linear and nonlinear parameters are allowed to vary, are shown to provide an extremely flexible and effective approach for solving the time-dependent Schr\"odinger equation in one…
The application of the optimized expansion for the quantum-mechanical propagation in the anharmonic potential $\lambda x^4$ is discussed for real and imaginary time. The first order results in the imaginary time formalism provide…
We discuss the automatic solution of the multichannel Schr\"odinger equation. The proposed approach is based on the use of a CP method for which the step size is not restricted by the oscillations in the solution. Moreover, this CP method…
The Grassmann time-evolving matrix product operator method has shown great potential as a general-purpose quantum impurity solver, as its numerical errors can be well-controlled and it is flexible to be applied on both the imaginary- and…
We present a time-dependent extension of logarithmic perturbation theory for nonrelativistic quantum dynamics governed by the Schr\"odinger equation, in which the logarithm of the wave function is expanded in powers of a coupling constant.…
A spacetime Discontinuous Petrov Galerkin (DPG) method for the linear time-dependent Schrodinger equation is proposed. The spacetime approach is particularly attractive for capturing irregular solutions. Motivated by the fact that some…
While new light sources allow for unprecedented resolution in experiments with X-rays, a theoretical understanding of the scattering cross-section is lacking. In the particular case of strongly correlated electron systems, numerical…
In this paper, we present efficient quantum algorithms that are exponentially faster than classical algorithms for solving the quantum optimal control problem. This problem involves finding the control variable that maximizes a physical…
In this paper, we develop a framework for designing arbitrary high order low-rank schemes for the Lindblad equation with time-dependent Hamiltonians. Our approach is based on nested Picard iterative integrators (NPI) and results in schemes…
Transport and scattering phenomena in open quantum-systems with a continuous energy spectrum are conveniently solved using the time-dependent Schrodinger equation. In the time-dependent picture, the evolution of an initially localized…
The generalized Crank-Nicolson method is employed to obtain numerical solutions of the two-dimensional time-dependent Schrodinger equation. An adapted alternating-direction implicit method is used, along with a high-order finite difference…