Related papers: A Chebychev propagator for inhomogeneous Schr\"odi…
A propagation method for time-dependent Schr\"odinger equations with an explicitly time-dependent Hamiltonian is developed where time ordering is achieved iteratively. The explicit time-dependence of the time-dependent Schr\"odinger…
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…
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 derive an exact propagation scheme for nonlinear Schroedinger equations. This scheme is entirely analogous to the propagation of linear Schroedinger equations. We accomplish this by defining a special operator whose algebraic properties…
A propagator for the one dimensional time-dependent Schr\"odinger equation with an asymmetric rectangular potential is obtained using the multiple-scattering theory approach. It allows for the consideration of the reflection and…
We show that a pseudospectral representation of the wavefunction using multiple spatial domains of variable size yields a highly accurate, yet efficient method to solve the time-dependent Schr\"odinger equation. The overall spatial domain…
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 study the time-dependent Schr\"odinger equation $ \imath\frac{\partial u}{\partial t}=-1/2\Delta u,$ on a compact riemannian manifold on which the geodesic flow has the Anosov property. Using the notion of semiclassical measures, we…
The propagator of the discrete Schr\"odinger equation is computed and its properties are revealed through a Feynman path summation in discrete space. Initial data problems such as diffraction in discrete space and continuous time are…
We consider the numerical integration of the Schr\"odinger equation with a time-dependent Hamiltonian given as the sum of the kinetic energy and a time-dependent potential. Commutator-free (CF) propagators are exponential propagators that…
The dynamics of Schr\"odinger equation with time dependent potentials of general time dependence is considered. It is shown that for localized in space potentials, there is propagation of regularity which is uniformly bounded in higher…
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 discuss the numerical solution of the Schr\"odinger equation with a time-dependent Hamilton operator using commutator-free time-propagators. These propagators are constructed as products of exponentials of simple weighted sums of the…
We prove that the Schr\"odinger equation for N number of particles in the time dependent electro-magnetic field generates a unique unitary propagator on the state space under the condition that the field is smooth and moderately but almost…
With growing demand for time-domain simulations of correlated many-body systems, the development of efficient and stable integration schemes for the time-dependent Schr\"odinger equation is of keen interest in modern electronic structure…
The goal of this paper is to provide an analysis of the ``toolkit'' method used in the numerical approximation of the time-dependent Schr\"odinger equation. The ``toolkit'' method is based on precomputation of elementary propagators and was…
The goal of this paper is to provide an analysis of the "toolkit" method used in the numerical approximation of the time-dependent Schr\"odinger equation. The "toolkit" method is based on precomputation of elementary propagators and was…
We prove a dispersive estimate for periodic discrete Schr\"odinger operators on the line with optimal rate of decay. Additionally, by standard methods, we deduce dispersive estimates for the discrete nonlinear Schr\"odinger equation with…
Often considered in numerical simulations related to the control of quantum systems, the so-called monotonic schemes have not been so far much studied from the functional analysis point of view. Yet, these procedures provide an efficient…
By recursively solving the underlying Schr\" odinger equation, we set up an efficient systematic approach for deriving analytic expressions for discretized effective actions. With this we obtain discrete short-time propagators for both one…