Related papers: Exponential propagators for the Schr\"odinger equa…
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 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…
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…
The computation of the Schr\"odinger equation featuring time-dependent potentials is of great importance in quantum control of atomic and molecular processes. These applications often involve highly oscillatory potentials and require…
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…
We examine various integration schemes for the time-dependent Kohn-Sham equations. Contrary to the time-dependent Schr\"odinger's equation, this set of equations is non-linear, due to the dependence of the Hamiltonian on the electronic…
Atoms, molecules or excitonic quasiparticles, for which excitations are induced by external radiation fields and energy is dissipated through radiative decay, are examples of driven open quantum systems. We explain the use of…
We investigate tensor-train approaches to the solution of the time-dependent Schr\"{o}dinger equation for chain-like quantum systems with on-site and nearest-neighbor interactions only. Using efficient low-rank tensor train representations,…
The integrating factor and exponential time differencing methods are implemented and tested for solving the time-dependent Kohn--Sham equations. Popular time propagation methods used in physics, as well as other robust numerical approaches,…
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…
The objective of this work is the introduction and investigation of favourable time integration methods for the Gross--Pitaevskii equation with rotation term. Employing a reformulation in rotating Lagrangian coordinates, the equation takes…
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…
In this paper, we find the quantum propagator for a general time-dependent quadratic Hamiltonian. The method is based on the properties of the propagator and the fact that the quantum propagator fulfills two independent partial differential…
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…
The method proposed by Inomata and his collaborators allows us to transform a damped Caldiroli-Kanai oscillator with time-dependent frequency to one with constant frequency and no friction by redefining the time variable, obtained by…
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…
Using a hybrid approach, based on the recursion relations for shape invariant potentials developed by Das and Huang and a time-dependent tranformation of variables, we derive the propagator for a radial oscillator. Although this is not a…
We extend the recently proposed Time-Dependent Multi-Determinant approach (ref.[1]) to the description of fermionic propagators. The method hinges on equations of motions obtained using variational principles of Dirac type. In particular we…
This paper is about the fractional Schr\"odinger equation expressed in terms of the Caputo time-fractional and quantum Riesz-Feller space fractional derivatives for particle moving in a potential field. The cases of free particle (zero…
We compare exponential-type integrators for the numerical time-propagation of the equations of motion arising in the multi-configuration time-dependent Hartree-Fock method for the approximation of the high-dimensional multi-particle…