Related papers: Efficient multiscale methods for the semiclassical…
We extend our finite difference time domain method for numerical solution of the Schrodinger equation to cases where eigenfunctions are complex-valued. Illustrative numerical results for an electron in two dimensions, subject to a confining…
The split-operator pseudo-spectral method based on the fast Fourier transform (SO-FFT) is a fast and accurate method for the numerical solution of the time-dependent Schr\"odinger-like equations (TDSE). As well as other grid-based…
We formulate a damped oscillating particle method to solve the stationary nonlinear Schr\"{o}dinger equation (NLSE). The ground state solutions are found by a converging damped oscillating evolution equation that can be discretized with…
This paper interprets the stabilized finite element method via residual minimization as a variational multiscale method. We approximate the solution to the partial differential equations using two discrete spaces that we build on a…
Accurately and efficiently describing strongly correlated electronic systems is a central challenge in quantum computational chemistry, with classical and quantum computers. The localized active space self-consistent field method (LASSCF)…
The accuracy of different transfer matrix approaches, widely used to solve the stationary effective mass Schr\"{o}dinger equation for arbitrary one-dimensional potentials, is investigated analytically and numerically. Both the case of a…
We analyze a numerical method to solve the time-dependent linear Pauli equation in three space dimensions. The Pauli equation is a semi-relativistic generalization of the Schr\"odinger equation for 2-spinors which accounts both for magnetic…
For the first time, the general nonlinear Schr\"odinger equation is investigated, in which the chromatic dispersion and potential are specified by two arbitrary functions. The equation in question is a natural generalization of a wide class…
Atomic and molecular breakup reactions, such as multiple-ionisation, are described by a driven Schr\"odinger equation. This equation is equivalent to a high-dimensional Helmholtz equation and it has solutions that are outgoing waves,…
We propose a novel dispersive regularization framework for the numerical simulation of the one-dimensional shallow water equations (SWE). The classical hyperbolic system is regularized by a third-order dispersive term in the momentum…
Strong approximation errors of both finite element semi-discretization and spatio-temporal full discretization are analyzed for the stochastic Allen-Cahn equation driven by additive noise in space dimension $d \leq 3$. The full…
We present an energy-preserving mechanic formulation for dynamic quasi-brittle fracture in an Eulerian-Lagrangian formulation, where a second-order phase-field equation controls the damage evolution. The numerical formulation adapts in…
In the present paper we introduce a new methodology for the construction of numerical methods for the approximate solution of the one-dimensional Schr\"odinger equation. The new methodology is based on the requirement of vanishing the…
We consider a space-time finite element method on fully unstructured simplicial meshes for optimal sparse control of semilinear parabolic equations. The objective is a combination of a standard quadratic tracking-type functional including a…
The Schr\"odinger eigenvalue problem is solved with the imaginary time propagation technique. The separability of the Hamiltonian makes the problem suitable for the application of splitting methods. High order fractional time steps of order…
We prescribe a formulation of the particle production with real-time Stochastic Quantization. To construct the retarded and the time-ordered propagators we decompose the stochastic variables into positive- and negative-energy parts. In this…
This paper proposes a novel low-rank approximation to the multivariate State-Space Model. The Stochastic Partial Differential Equation (SPDE) approach is applied component-wise to the independent-in-time Mat\'ern Gaussian innovation term in…
We here show how the methods recently applied by [DW16] to solve the stochastic nonlinear Schr\"odinger equation on $\mathbb{T}^2$ can be enhanced to yield solutions on $\mathbb{R}^2$ if the non-linearity is weak enough. We prove that the…
We formulate an initial- and Dirichlet boundary- value problem for a linear stochastic heat equation, in one space dimension, forced by an additive space-time white noise. First, we approximate the mild solution to the problem by the…
We prove in this paper that the solution of the time-dependent Schr{\"o}dinger equation can be expressed as the solution of a global space-time quadratic minimization problem that is amenable to Galerkin time-space discretization schemes,…