Related papers: Prediction of many-electron wavefunctions using at…
Multi-configurational electronic structure theory delivers the most versatile approximations to many-electron wavefunctions, flexible enough to deal with all sorts of transformations, ranging from electronic excitations, to open-shell…
The energy eigenvalues and the wave functions of an $\alpha$ particle in a Bohrium $270$ nucleus were calculated by solving Schr\"odinger equation for Generalized Symmetric Woods-Saxon potential. Using the energy spectrum by excluding and…
A new scheme for constructing approximate effective electron potentials within density-functional theory is proposed. The scheme consists of calculating the effective potential for a series of reference systems, and then using these…
We obtain the exact energy spectra and corresponding wave functions of the radial Schr\"odinger equation (RSE) for any (n,l) state in the presence of a combination of psudoharmonic, Coulomb and linear confining potential terms using an…
The approximate analytical bound state solution of the Schr\"odinger equation for the Manning-Rosen potential is carried out by taking a new approximation scheme to the orbital centrifugal term. The Nikiforov-Uvarov method is used in the…
The model of a spherical quantum dot with several donor impurities on its surface is suggested. The electron energy spectra are studied as a function of the quantum dot radius and the number of impurities. Several cases of the location of…
A simple analytic expression of the three-body wave function describing the system $(\alpha\alpha n)$ in the ground state $\frac{3}{2}^-$ of ${}^9\mathrm{Be}$ is obtained. In doing this, it is assumed that the $\alpha$ particles interact…
The total energies of a large number of diatomic (or two-center) one-electron $A^{+} B^{+} e^{-}$ ions with unit electrical charges are determined numerically to high accuracy. Based on these results we derive some accurate…
An eikonal expansion is used to provide systematic corrections to the eikonal approximation through order $1/k^2$, where $k$ is the wave number. Electron wave functions are obtained for the Dirac equation with a Coulomb potential. They are…
Multi-time wave functions are wave functions that have a time variable for every particle, such as $\phi(t_1,x_1,\ldots,t_N,x_N)$. They arise as a relativistic analog of the wave functions of quantum mechanics but can be applied also in…
We study a Schr{\"o}dinger equation modeling the dynamics of an electron in a crystal in the asymptotic regime of small wavelength comparable to the characteristic scale of the crystal. Using Floquet Bloch decomposition, we obtain a…
In this work we define single-particle potentials for a positron and a positronium atom interacting with light atoms (H, He, Li and Be) by inverting a single-particle Schr\"odinger equation. For this purpose, we use accurate energies and…
A parameter method is introduced in order to estimate the relationship among the various variables of a system in equilibrium, where the potential energy functions are incompletely known or the quantum mechanical calculations very…
The exact wave functions, which describe the states of an electron, bound in the image potential, and the magnetic field, which is perpendicular to surface of a metal, are obtained. The correction terms to the energy of an electron in the…
It is shown that evolution of an open quantum system can be exactly described in terms of wave function which obeys Schrodinger equation with randomly varying parameters whose statistics is universally determined by separate dynamics of the…
An alternative approximation scheme has been used in solving the Schrodinger equation for the exponential-cosine-screened Coulomb potential. The bound state energ\i es for various eigenstates and the corresponding wave functions are…
Electron polarimeters based on Mott scattering are extensively used in different fields in physics such as atomic, nuclear or particle physics. This is because spin-dependent measurements gives additional information on the physical…
Employing a particularly suitable higher order symplectic integration algorithm, we integrate the 1-$d$ nonlinear Schr\"odinger equation numerically for solitons moving in external potentials. In particular, we study the scattering off an…
An efficient all-electron G$^0$W$^0$ method and a quasiparticle selfconsistent GW (QSGW) method for molecules are proposed in the molecular orbital space with the full random phase approximation. The convergence with basis set is examined.…
A procedure to obtain single-electron wavefunctions within the tight-binding formalism is proposed. It is based on linear combinations of Slater-type orbitals whose screening coefficients are extracted from the optical matrix elements of…