Related papers: A fast matrix-free algorithm for spectral approxim…
We introduce a space-time finite element method for the linear time-dependent Schr\"odinger equation with Dirichlet conditions in a bounded Lipschitz domain. The proposed discretization scheme is based on a space-time variational…
This work proposes a basis for improved throughput of matrix-free evaluation of discontinuous Galerkin symmetric interior penalty discretizations on hexahedral elements. The basis relies on ideas of Hermite polynomials. It is used in a…
Given a nonsingular $n \times n$ matrix of univariate polynomials over a field $\mathbb{K}$, we give fast and deterministic algorithms to compute its determinant and its Hermite normal form. Our algorithms use…
Hermite basis functions are a powerful tool for the spatial discretisation of Schr\"odinger equations with harmonic potential. In this work, we show that their stability properties extend to the simulation of Schr\"odinger equations without…
A propagation method for the time dependent Schr\"odinger equation was studied leading to a general scheme of solving ode type equations. Standard space discretization of time-dependent pde's usually results in system of ode's of the form…
We present a practical algorithm based on symplectic splitting methods to integrate numerically in time the Schr\"odinger equation. When discretized in space, the Schr\"odinger equation can be recast as a classical Hamiltonian system…
We present a practical algorithm to approximate the exponential of skew-Hermitian matrices up to round-off error based on an efficient computation of Chebyshev polynomials of matrices and the corresponding error analysis. It is based on…
Understanding the singular value spectrum of a matrix $A \in \mathbb{R}^{n \times n}$ is a fundamental task in countless applications. In matrix multiplication time, it is possible to perform a full SVD and directly compute the singular…
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…
This paper is devoted to the derivation of a pleasingly parallel Galerkin method for the time-independent $N$-body Schr\"odinger equation, and its time-dependent version modeling molecules subject to an external electric field. In this…
We approximate the solution for the time dependent Schr\"odinger equation (TDSE) in two steps. We first use a pseudo-spectral collocation method that uses samples of functions on rank-1 or rank-r lattice points with unitary Fourier…
We present a space-time ultra-weak discontinuous Galerkin discretization of the linear Schr\"odinger equation with variable potential. The proposed method is well-posed and quasi-optimal in mesh-dependent norms for very general discrete…
A detailed exposition of highly efficient and accurate method for the propagation of the time-dependent Schr\"odinger equation is presented. The method is readily generalized to solve an arbitrary set of ODE's. The propagation is based on a…
We discuss the development, analysis, implementation, and numerical assessment of a spectral method for the numerical simulation of the three-dimensional Vlasov-Maxwell equations. The method is based on a spectral expansion of the velocity…
This paper proposes a matrix-free residual evaluation technique for the hybridizable discontinuous Galerkin method requiring a number of operations scaling only linearly with the number of degrees of freedom. The method results from…
In this paper, we use an implicit two-derivative deferred correction time discretization approach and combine it with a spatial discretization of the discontinuous Galerkin spectral element method to solve (non-)linear PDEs. The resulting…
We present a fast spectral Galerkin scheme for the discretization of boundary integral equations arising from two-dimensional Helmholtz transmission problems in multi-layered periodic structures or gratings. Employing suitably parametrized…
A global solution of the Schr\"odinger equation for explicitly time-dependent Hamiltonians is derived by integrating the non-linear differential equation associated with the time-dependent wave operator. A fast iterative solution method is…
In this paper, we propose a numerical method to approximate the solution of the time-dependent Schr\"odinger equation with periodic boundary condition in a high-dimensional setting. We discretize space by using the Fourier pseudo-spectral…
The accuracy and effectiveness of Hermite spectral methods for the numerical discretization of partial differential equations on unbounded domains, are strongly affected by the amplitude of the Gaussian weight function employed to describe…