Related papers: Further generalization and numerical implementatio…
We present an efficient perturbative method to obtain both static and dynamic polarizabilities and hyperpolarizabilities of complex electronic systems. This approach is based on the solution of a frequency dependent Sternheimer equation,…
Scattering problems for periodic structures have been studied a lot in the past few years. A main idea for numerical solution methods is to reduce such problems to one periodicity cell. In contrast to periodic settings, scattering from…
We approximate the solution for the time dependent Schr\"odinger equation (TDSE) in two steps. We first use a pseudo-spectral collocation method that uses samples of functions on rank-1 or rank-r lattice points with unitary Fourier…
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…
This paper investigates quantum simulation algorithms for the Liouville equation in geometrical optics with partial transmission and reflection at sharp interfaces, based on the Schr\"odingerization method. By means of a warped phase…
We present the application of the inverse scattering method to the design of semiconductor heterostructures having a preset dependence of the (conduction) electrons' reflectance on the energy. The electron dynamics are described by either…
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…
High frequency integral equation methodologies display the capability of reproducing single-scattering returns in frequency-independent computational times and employ a Neumann series formulation to handle multiple-scattering effects. This…
We apply the ultraspherical spectral method to solving time-dependent PDEs by proposing two approaches to discretization based on the method of lines and show that these approaches produce approximately same results. We analyze the…
Three different numerical techniques for solving a coupled channel Schroedinger equation are compared. This benchmark equation, which describes the collision between two ultracold atoms, consists of two channels, each containing the same…
Improvement of numerical methods for calculating charge transport quantities of materials from the Boltzmann transport equation (BTE) is important for prediction of material properties. In particular, techniques which allow for more…
An embedding method for solving the time-dependent Schr\"odinger equation is developed using the Dirac-Frenkel variational principle. Embedding allows the time-evolution of the wavefunction to be calculated explicitly in a limited region of…
In order to solve the time-independent three-dimensional Schr\"odinger equation, one can transform the time-dependent Schr\"odinger equation to imaginary time and use a parallelized iterative method to obtain the full three-dimensional…
In order to inherit numerically the ergodicity of the damped stochastic nonlinear Schr\"odinger equation with additive noise, we propose a fully discrete scheme, whose spatial direction is based on spectral Galerkin method and temporal…
We present an approach to numerically solving the time-dependent Schroedinger equation and other parabolic equations by the split-step technique with fast Fourier transform, which suppresses the backreflection of waves from the grid…
To solve the time-dependent Schr\"odinger equation in spatially inhomogeneous pulses of electromagnetic radiation, we propose an iterative semi-classical complex trajectory approach. In numerical applications, we validate this method…
The energy-based stochastic extension of the Schrodinger equation is a rather special nonlinear stochastic differential equation on Hilbert space, involving a single free parameter, that has been shown to be very useful for modelling the…
The asymptotic iteration method is used to find exact and approximate solutions of Schroedinger's equation for a number of one-dimensional trigonometric potentials (sine-squared, double-cosine, tangent-squared, and complex cotangent).…
A method of solving the time-dependent Schr\"odinger equation is presented, in which a finite region of space is treated explicitly, with the boundary conditions for matching the wave-functions on to the rest of the system replaced by an…
A procedure to obtain the eigenenergies and eigenfunctions of a quantum spiked oscillator is presented. The originality of the method lies in an adequate use of asymptotic expansions of Wronskians of algebraic solutions of the Schroedinger…