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We develop an approach to solving numerically the time-dependent Schrodinger equation when it includes source terms and time-dependent potentials. The approach is based on the generalized Crank-Nicolson method supplemented with an…
Time dependent Schr\"odinger equations with conservative force field U commonly constitute a major challenge in the numerical approximation, especially when they are analysed in the semiclassical regime. Extremely high oscillations…
A multidomain spectral method with compactified exterior domains combined with stable second and fourth order time integrators is presented for Schr\"odinger equations. The numerical approach allows high precision numerical studies of…
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,…
The quantum Monte Carlo (QMC) is one of the most promising many-body electronic structure approaches. It employs stochastic techniques for solving the stationary Schr\" odinger equation and for evaluation of expectation values. The key…
In this paper, we propose a family of time-stepping schemes for approximating general nonlinear Schr\"odinger equations. The proposed schemes all satisfy both mass conservation and energy conservation. Truncation and dispersion error…
We review and compare different variational formulations for the Schr\"{o}dinger field. Some of them rely on the addition of a conveniently chosen total time derivative to the hermitic Lagrangian. Alternatively, the Dirac-Bergmann algorithm…
Based on the canonical Lang-Firsov transformation of the Hamiltonian we develop a very efficient quantum Monte Carlo algorithm for the Holstein model with one electron. Separation of the fermionic degrees of freedom by a reweighting of the…
We introduce a numerical method for the solution of the time-dependent Schrodinger equation with a smooth potential, based on its reformulation as a Volterra integral equation. We present versions of the method both for periodic boundary…
In this paper we introduce and discuss numerical schemes for the approximation of kinetic equations for flocking behavior with phase transitions that incorporate uncertain quantities. This class of schemes here considered make use of a…
In the present work we consider a time-dependent Schr\"odinger equation for systems invariant under the reparametrization of time. We develop the two-stage procedure of construction such systems from a given initial ones, which is not…
We formulate a set of conditions under which dynamics of a time-dependent quantum Hamiltonian are integrable. The main requirement is the existence of a nonabelian gauge field with zero curvature in the space of system parameters. Known…
In this paper we have generalized the quantum mechanics on fractal time-space. The time is changing on Cantor-set like but space is considered as fractal curve like Von-Koch curve. The Feynman path method in quantum mechanics has been…
Employing the phase-space representation of second order ordinary differential equations we developed a method to find the eigenvalues and eigenfunctions of the 1-dimensional time independent Schr\"odinger equation for quantum model…
In this paper, one of the major shortcomings of the conventional numerical approaches is alleviated by introducing the probabilistic nature of molecular transitions into the framework of classical computational electrodynamics. The main aim…
We derive an exact single-body decomposition of the time-dependent Schroedinger equation for N pairwise-interacting fermions. Each fermion obeys a stochastic time-dependent norm-preserving wave equation. As a first test of the method we…
We propose an efficient approach for time integration of Klein-Gordon equations with highly oscillatory in time input terms. The new methods are highly accurate in the entire range, from slowly varying up to highly oscillatory regimes. Our…
We propose a novel quantum Monte Carlo method in configuration space, which stochastically samples the contribution from a large secondary space to the effective Hamiltonian in the energy dependent partitioning of L\"owdin. The method…
This paper discusses the technical aspects - mathematical and numerical - associated with the numerical simulations of a mesoscopic system in the time domain (i.e. beyond the single frequency AC limit). After a short review of the state of…
This paper proposes an efficient method for the simultaneous estimation of the state of a quantum system and the classical parameters that govern its evolution. This hybrid approach benefits from efficient numerical methods for the…