Related papers: Role of the action function in defining electronic…
A separable $x-y$ model is solved for a specialized vector potential (no magnetic and weak electric fields) penetrating slowly\textbf{,} adiabatically into and across a rectangular box to which an electron is confined. The time-dependent…
A general hamiltonian $H$ of electrons in finite concentration, interacting via any two-body coupling inside a crystal of arbitrary dimension, is considered. For simplicity and without loss of generality, a one-band model is used to account…
The time-dependent Schrodinger equation of a many particle spin system consisting of an electron in a quantum dot interacting with the spins of the nuclei (N) in the dot due to hyperfine interaction is solved exactly for a given arbitrary…
In the last few years the hydrodynamic formulation of quantum mechanics, equivalent to the Bohmian equations of motion, has been used to obtain numerical solutions of the Schrodinger equation. Problems, however, have been experienced near…
We present an ab-initio density-functional-theory approach for calculating electron-phonon interactions within the projector augmented-wave method. The required electron-phonon matrix elements are defined as the second derivative of the…
We proposed a distributed approximating functional method for efficiently describing the electronic dynamics in atoms and molecules in the presence of the Coulomb singularities, using the kernel of a grid representation derived by using the…
Previous studies have used numerical methods to optimize the hyperpolarizability of a one-dimensional quantum system. These studies were used to suggest properties of one-dimensional organic molecules, such as the degree of modulation of…
Scattering of electromagnetic waves by many small particles of arbitrary shapes is reduced rigorously to solving linear algebraic system of equations bypassing the usual usage of integral equations. The matrix elements of this linear…
In electronic structure calculations, the correlation energy is defined as the difference between the mean field and the exact solution of the non relativistic Schr\"odinger equation. Such an error in the different calculations is not…
We discuss the solutions of the Schroedinger equation for piecewise potentials, given by the harmonic oscillator potential for $\vert x\vert >a$ and an arbitrary function for $\vert x\vert <a$, using elementary methods. The study of this…
In this work we develop a theory of correlated many-electron dynamics dressed by the presence of a finite-temperature harmonic bath. The theory is based on the ab-initio Hamiltonian, and thus well-defined apart from any phenomenological…
We study how the electron hopping reduces the Mott-Hubbard band gap in the limit of a large Coulomb interaction U and as a function of the orbital degeneracy N. The results support the conclusion that the hopping contribution grows as…
The localization properties of eigenfunctions for two interacting particles in the one-dimensional Anderson model are studied for system sizes up to $N=5000$ sites corresponding to a Hilbert space of dimension $\approx 10^7$ using the Green…
We propose a numerical method which embeds the variational non-Gaussian wavefunction approach within exact diagonalization, allowing for efficient treatment of correlated systems with both electron-electron and electron-phonon interactions.…
A review of some recently developed methods of calculating multiple differential cross-sections of photoionization and electron impactionization of atoms and molecules having two active electrons is presented. The methods imply original…
This work is concerned with the propagation of electromagnetic waves in isotropic chiral media and with the effects produced by a plane boundary between two such media. In analogy with the phenomena of reflection and refraction of plane…
The electronic structure calculations based upon energy density functionals are highly successful and widely used both in solid state physics and quantum chemistry. Moreover, the Hohenberg-Kohn theorems and the Kohn-Sham method provide them…
Solutions of the Schr\"odinger equation by spanning the wave function is a complete basis is a common practice is many-body interacting systems. We shall study the case of a two-dimensional quantum system composed by two interacting…
The scattering of electromagnetic waves by an obstacle is analyzed through a set of partial differential equations combining the Maxwell's model with the mechanics of fluids. Solitary type EM waves, having compact support, may easily be…
The Hubbard model is investigated in the framework of lattice density functional theory (LDFT). The single-particle density matrix $\gamma_{ij}$ with respect the lattice sites is considered as the basic variable of the many-body problem. A…