Related papers: Modified energy for split-step methods applied to …
The ground state energy of a many-electron system can be approximated by an variational approach in which the total energy of the system is minimized with respect to one and two-body reduced density matrices (RDM) instead of many-electron…
We implement the Numerical Unified Transform Method to solve the Nonlinear Schr\"odinger equation on the half-line. For so-called linearizable boundary conditions, the method solves the half-line problems with comparable complexity as the…
We consider the Cauchy problem of the two-dimensional Schr\"odinger-Poisson system in the energy class. Though the Newtonian potential diverges at the spatial infinity in the logarithmic order, global well-posedness is proven in both…
We show that the exact discrete analogue of Schr\"odinger equation can be derived naturally from the Hamiltonian operator of a Schr\"odinger field theory by using the discrete Fourier transform that transforms the operator from momentum…
First-order energy dissipative schemes in time are available in literature for the Poisson-Nernst-Planck (PNP) equations, but second-order ones are still in lack. This work proposes novel second-order discretization in time and finite…
In this paper we discuss energy conservation issues related to the numerical solution of the nonlinear wave equation. As is well known, this problem can be cast as a Hamiltonian system that may be autonomous or not, depending on the…
We present a novel energy-based numerical analysis of semilinear diffusion-reaction boundary value problems. Based on a suitable variational setting, the proposed computational scheme can be seen as an energy minimisation approach. More…
We analyze the Schr\"odingerization method for quantum simulation of a general class of non-unitary dynamics with inhomogeneous source terms. The Schr\"odingerization technique, introduced in [31], transforms any linear ordinary and partial…
Numerical solutions for laser-matter interaction in Schr\"odinger equation has many applications in theoretical chemistry, quantum physics and condensed matter physics. In this paper we introduce a methodology which allows, with a small…
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…
In this paper, we study the mathematical structure and numerical approximation of elliptic problems posed in a (3D) domain $\Omega$ when the right-hand side is a (1D) line source $\Lambda$. The analysis and approximation of such problems is…
A fully discrete approximation of the semi-linear stochastic wave equation driven by multiplicative noise is presented. A standard linear finite element approximation is used in space and a stochastic trigonometric method for the temporal…
A method for constructing first integral preserving numerical schemes for time-dependent partial differential equations on non-uniform grids is presented. The method can be used with both finite difference and partition of unity approaches,…
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…
Resonant solutions of the quantum Schr\"odinger equation occur at complex energies where the S-matrix becomes singular. Knowledge of such resonances is important in the study of the underlying physical system. Often the Schr\"odinger…
This paper concerns the numerical approximation of low-energy eigenstates of the linear random Schr\"odinger operator. Under oscillatory high-amplitude potentials with a sufficient degree of disorder it is known that these eigenstates…
This work presents new parallelizable numerical schemes for the integration of Dissipative Particle Dynamics with Energy conservation (DPDE). So far, no numerical scheme introduced in the literature is able to correctly preserve the energy…
A modified perturbation theory in the strength of the nonlinear term is used to solve the Nonlinear Schroedinger Equation with a random potential. It is demonstrated that in some cases it is more efficient than other methods. Moreover we…
In this paper we study the long time behavior of a discrete approximation in time and space of the cubic nonlinear Schr\"odinger equation on the real line. More precisely, we consider a symplectic time splitting integrator applied to a…
We analyze the preservation properties of a family of reversible splitting methods when they are applied to the numerical time integration of linear differential equations defined in the unitary group. The schemes involve complex…