Related papers: Efficient time integration methods for Gross--Pita…
Variational space-time formulations for Partial Differential Equations have been of great interest in the last decades. While it is known that implicit time marching schemes have variational structure, the Galerkin formulation of explicit…
The Schrodinger equation is considered with the first order time derivative changed to a Caputo fractional derivative, the time fractional Schrodinger equation. The resulting Hamiltonian is found to be non-Hermitian and non-local in time.…
A recently proposed method for computer simulations in the isothermal-isobaric (NPT) ensemble, based on Langevin-type equations of motion for the particle coordinates and the ``piston'' degree of freedom, is re-derived by straightforward…
It is found that the wave functions of the Gross-Pitaevskii equation (GPE) often vary significantly in different spatial regions, with some components exhibiting sharp variations while others remain smooth. Solving the GPE on a single mesh,…
We propose and compare several projection methods applied to variational integrators for degenerate Lagrangian systems, whose Lagrangian is of the form $L = \vartheta(q) \cdot \dot{q} - H(q)$ and thus linear in velocities. While previous…
The long-time behaviour of splitting integrators applied to nonlinear Schr\"odinger equations in a weakly nonlinear setting is studied. It is proven that the energy is nearly conserved on long time intervals. The analysis includes all…
We propose a novel non-iterative domain decomposition time integrator for acoustic wave equations using a discontinuous Galerkin discretization in space. It is based on a local Crank-Nicolson approximation combined with a suitable local…
Following on our previous work [S. Delong and B. E. Griffith and E. Vanden-Eijnden and A. Donev, Phys. Rev. E, 87(3):033302, 2013], we develop temporal integrators for solving Langevin stochastic differential equations that arise in…
High-performance computing trends towards many-core systems are expected to continue over the next decade. As a result, parallel-in-time methods, mathematical formulations which exploit additional degrees of parallelism in the time…
We propose a unified approach for different exponential perturbation techniques used in the treatment of time-dependent quantum mechanical problems, namely the Magnus expansion, the Floquet--Magnus expansion for periodic systems, the…
An algorithm for the numerical solution of the Schr\"odinger equation in the case of a time dependent potential is proposed. Our simple modification upgrades the well known method of Koonin while negligibly increasing the computing time. In…
We construct an approximation of the kernel of the solution of the time dependent Schr\"odinger equation whose Hamiltonian is a 2D harmonic oscillator in Aharonov-Bohm magnetic field. The main tools used here were established in the paper…
We solve the non-stationary Schrodinger equation for several time-dependent Hamiltonians, such as the BCS Hamiltonian with an interaction strength inversely proportional to time, periodically driven BCS and linearly driven inhomogeneous…
Models involving hybrid systems are versatile in their application but difficult to optimize efficiently due to their combinatorial nature. This work presents a method to cope with hybrid optimal control problems which, in contrast to…
Operator splitting methods combined with finite element spatial discretizations are studied for time-dependent nonlinear Schr\"odinger equations. In particular, the Schr\"odinger-Poisson equation under homogeneous Dirichlet boundary…
The purpose of this work is the development of space-time discretization schemes for phase-field optimal control problems. First, a time discretization of the forward problem is derived using a discontinuous Galerkin formulation. Here, a…
We use the optimized trigonometric finite basis method to find energy eigenvalues and eigenfunctions of the time-independent Schrodinger equation with high accuracy. We apply this method to the quartic anharmonic oscillator and the harmonic…
In the present work, a new time-dependent exchange theory is presented wherein the symmetry constraints, on a multi-electron wavefunction, are properly accounted for. In so doing, the equations of motion, incorporating the required…
We consider quantum electrodynamics with additional coupling of spinor fields to the space-time independent axial vector violating both Lorentz and CPT symmetries. The Fock-Schwinger proper time method is used to calculate the one-loop…
High order exponential integrators require computing linear combination of exponential like $\varphi$-functions of large matrices $A$ times a vector $v$. Krylov projection methods are the most general and remain an efficient choice for…