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We present a propagation scheme for time-dependent inhomogeneous Schr\"odinger equations which occur for example in optimal control theory or in reactive scattering calculations. A formal solution based on a polynomial expansion of the…
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 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…
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 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…
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 prove existence of propagators for a time dependent Schr\"odinger equation with a new class of softened Coulomb potentials, which we allow to be time dependent, in the context of time dependent density functional theory. We compute…
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…
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…
We show how the highly accurate and efficient Constant Perturbation (CP) technique for steady-state Schr\"odinger problems can be used in the solution of time-dependent Schr\"odinger problems with explicitly time-dependent Hamiltonians,…
An efficient algorithm for time propagation of the time-dependent Kohn-Sham equations is presented. The algorithm is based on dividing the Hamiltonian into small time steps and assuming that it is constant over these steps. This allows for…
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…
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…
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 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…
In this study, a variety of methods are tested and compared for the numerical solution of the Schr\"odinger equation for few-body systems with explicitely time-dependent Hamiltonians, with the aim to find the optimal one. The configuration…
In this article, I present a very fast and high-precision (up to 33 decimal places) C++ implementation of the semi-global time propagation algorithm for a system of coupled Schr\"odinger equations with a time-dependent Hamiltonian. It can…
We build an efficient and unitary (hence stable) method for the solution of the semi-classical Schr\"odinger equation subject with explicitly time-dependent potentials. The method is based on a combination of the Zassenhaus decomposition…
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…