Related papers: Numerical Simulation of the Time-Dependent Schrodi…
Quantum confinement is studied by numerically solving time-dependent Schr\"odinger equation. An imaginary-time evolution technique is employed in conjunction with the minimization of an expectation value, to reach the global minimum.…
In this work, we analyze a Crank-Nicolson type time stepping scheme for the subdiffusion equation, which involves a Caputo fractional derivative of order $\alpha\in (0,1)$ in time. It hybridizes the backward Euler convolution quadrature…
Exact boundary conditions at finite distance for the solutions of the time-dependent Schrodinger equation are derived. A numerical scheme based on Crank-Nicholson method is proposed to illustrate its applicability in several examples.
This paper introduces a novel deep-learning-based approach for numerical simulation of a time-evolving Schr\"odinger equation inspired by stochastic mechanics and generative diffusion models. Unlike existing approaches, which exhibit…
The energy-based stochastic extension of the Schrodinger equation is perhaps the simplest mathematically rigourous and physically plausible model for the reduction of the wave function. In this article we apply a new simulation methodology…
We propose an approximate solution of the time-dependent Schr\"odinger equation using the method of stationary states combined with a variational matrix method for finding the energies and eigenstates. We illustrate the effectiveness of the…
In the present paper we consider the semiclassical magnetic Schr\"odinger equation, which describes the dynamics of charged particles under the influence of a electro-magnetic field. The solution of the time-dependent Schr\"odinger equation…
A fast and stable method is formulated to compute the time evolution of a wavefunction by numerically solving the time-dependent Schr{\"o}dinger equation. This method is a real space/real time evolution method implemented by several…
We present the mathematical model and numerical calculation results for the tunneling of the wave function in a time-periodic double-well potential. The bi-quadratic potential of a double-well form is used. Based on a mathematical model of…
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…
Analytical solutions to the time-dependent Shr\"{o}dinger equation in one dimension are developed for time-independent potentials, one consisting of an infinite wall and a repulsive delta function. An exact solution is obtained by means of…
We review and further develop the recently introduced numerical approach for scattering calculations based on a so called pseudo-time Schroedinger equation, which is in turn a modification of the damped Chebyshev polynomial expansion…
A numerical scheme for solving the time-evolution of wave functions under the time dependent Kohn-Sham equation has been developed. Since the effective Hamiltonian depends on the wave functions, the wave functions and the effective…
We present a novel numerical method and algorithm for the solution of the 3D axially symmetric time-dependent Schr\"odinger equation in cylindrical coordinates, involving singular Coulomb potential terms besides a smooth time-dependent…
The semiclassically scaled time-dependent multi-particle Schr\"odinger equation describes, inter alia, quantum dynamics of nuclei in a molecule. It poses the combined computational challenges of high oscillations and high dimensions. This…
Solving the time-dependent Schr\"odinger equation (TDSE) is pivotal for modeling non-adiabatic electron dynamics, a key process in ultrafast spectroscopy and laser-matter interactions. However, exact solutions to the TDSE remain…
The solution of the time-dependent Schr\"odinger equation is discussed for a particle confined in half-space $x>0$ with a linear potential $V(x)=Kx$ in the following situations: (a) sudden removal of the wall and switching on the linear…
The evolution problem for a quantum particle confined in a 1D box and interacting with one fixed point through a time dependent point interaction is considered. Under suitable assumptions of regularity for the time profile of the…
In this paper, we propose a mass- and modified energy-conservative relaxation Crank-Nicolson finite element method for the Schr\"{o}dinger-Poisson equation. Utilizing only a single auxiliary variable, we simultaneously reformulate the…
In this paper, we study the Schr\"{o}dinger equation in the semiclassical regime and with multiscale potential function. We develop the so-called constraint energy minimization generalized multiscale finite element method (CEM-GMsFEM), in…