In this paper, one of the numerical solution method of one- particle, one dimensional timeindependentSchrodinger equation are presented that allows one to obtain accurate bound state eigenvalues and functions for an arbitrary potential energy function V(x).For each case, we draw eigen functions versus the related reduced variable for the correspondingenergies. The paper ended with a comparison ...

This paper includes two parts. In the first part, general error estimates for "stable" eigenvalue approximations are obtained. These are practical in the sense that they are based on the discretization error of the difference formula over the eigenspace associated with the isolated eigenvalue under consideration. Verification of these general estimates are carried out on two difference schemes:...

We present a computational approach to simulate local contrast observed in Field Ion Microscopy (FIM). It is based on density-functional theory utilizing the Tersoff-Hamann as done Scanning Tunneling (STM). A key requirement highly accurate computation of surface states' wave-function tails. To refine Kohn-Sham states from standard iterative global solvers we introduce and discuss EXtrapolation...

In the present work, relativistic quantum motion of massless fermions in a helicoidal graphene nanoribbon under influence uniform magnetic field is investigated. Considering ($B$) aligned along axis helicoid, this problem explored context Dirac equation curved space-time. As system does not support exact solutions due to considered background, bound-state and local density state (LDOS) are obta...

in order to represent the potential energy function over the whole range of r, many potentialenergy functions have been proposed. in the present paper, we employ many potential energyfunctions, to use numerov method for solving the nuclear schrödinger equation for the ifmolecule, as an example of a heteronuclear diatomic molecules. then we determine thespectroscopic constants eω , e e x ω , e b...

in this paper, one of the numerical solution method of one- particle, one dimensional timeindependentschrodinger equation are presented that allows one to obtain accurate bound state eigenvalues and functions for an arbitrary potential energy function v(x).for each case, we draw eigen functions versus the related reduced variable for the correspondingenergies. the paper ended with a comparison ...