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Solving for the bound state eigenvalues of the Schr\"odinger equation is a tedious iterative process when the conventional shooting or matching method is used. In this work, we bypass the eigenvalue's dependence on the eigenfunction by…
We develop a modified semi-classical approach to the approximate solution of Schrodinger's equation for certain nonlinear quantum oscillations problems. At lowest order, the Hamilton-Jacobi equation of the conventional semi-classical…
Extended Lagrangian Born-Oppenheimer molecular dynamics [Niklasson, Phys. Rev. Lett. 100 123004 (2008)] has been generalized to the propagation of the electronic wavefunctions. The technique allows highly efficient first principles…
Shell corrections of the finite deformed Woods-Saxon potential are calculated using the Green's function method and the generalized Strutinsky smoothing procedure. They are compared with the results of the standard prescription which are…
We consider the scattering problem on locally perturbed periodic penetrable dielectric layers, which is formulated in terms of the full vector-valued time-harmonic Maxwell's equations. The right-hand side is not assumed to be periodic. At…
We propose implicit integrators for solving stiff differential equations on unit spheres. Our approach extends the standard backward Euler and Crank-Nicolson methods in Cartesian space by incorporating the geometric constraint inherent to…
The spectral function for an electron one-component plasma is calculated self-consistently using the GW0 approximation for the single-particle self-energy. In this way, correlation effects which go beyond the mean-field description of the…
Strain represents an ubiquitous feature in semiconductor heterostructures, and can be engineered by different means in order to improve the properties of various devices, including advanced MOSFETs and spin-based qubits. However, its…
Nonlocality in the scattering potential leads to an integro-differential equation.In this equation nonlocality enters through an integral over the nonlocal potential kernel. The resulting Schroedinger equation is usually handled by…
It is shown how the Canonical Function approach can be used to obtain accurate solutions for the distorted wave problem taking account of direct static and polarisation potentials and exact non-local exchange. Calculations are made for…
The description of the electron wavefunctions in atoms is generalized to the fractional Fourier series. This method introduces a continuous and infinite number of chirp basis sets with linear variation of the frequency to expand the…
We demonstrate how the mixed dynamic form factor (MDFF) can be interpreted as a quadratic form. This makes it possible to use matrix diagonalization methods to reduce the number of terms that need to be taken into account when calculating…
Using the coordinate transformation method, we solve the one-dimensional Schr\"{o}dinger equation with position-dependent mass(PDM). The explicit expressions for the potentials, energy eigenvalues and eigenfunctions of the systems are…
Spherical confinement in 3D harmonic, quartic and other higher oscillators of even order is studied. The generalized pseudospectral method is employed for accurate solution of relevant Schr\"odinger equation in an \emph{optimum,…
A method to solve the Schr\"{o}dinger equation based on the use of constant particle-particle interaction potential surfaces is proposed. The many-body wave function is presented in configuration interaction form with coefficients -…
This paper addresses the single-valued requirement for quantum wave functions when they are analytically continued in the spatial coordinates. This is particularly relevant for de Broglie-Bohm, hydrodynamic, or stochastic models of quantum…
We relax the usual diagonal constraint on the matrix representation of the eigenvalue wave equation by allowing it to be tridiagonal. This results in a larger solution space that incorporates an exact analytic solution for the non-central…
Electron diffraction through a thin patterned silicon membrane can be used to create complex spatial modulations in electron distributions by varying the intensity of different reflections using parameters such as crystallographic…
Rotationally invariant combinations of the Brillouin zone-center Bloch functions are used as basis function to express in cylindrical coordinates the valence-band and Kane envelope-function Hamiltonians for wurtzite and zinc-blende…
We present, for the first time, exact solutions for the Schr\"{o}dinger equation in Moon and Spencer's toroidal coordinates, and in the electromagnetic toroidal--poloidal coordinate systems. Curiously, both systems present a fractional…