A perturbative treatment for the bound states of the Hellmann potential

Ikhdair, Sameer M.
Sever, Ramazan
A new approximation formalism is applied to study the bound states of the Hellmann potential, which represents the superposition of the attractive Coulomb potential -a/r and the Yukawa potential bexp(-delta r)/r of arbitrary strength h and screening parameter delta. Although the analytic expressions for the energy eigenvalues E(n,l) yield quite accurate results for a wide range of n, f in the limit of very weak screening, the results become gradually worse as the strength b and the screening coefficient 6 increase. This is because that the expansion parameter is not sufficiently small enough to guarantee the convergence of the expansion series for the energy levels.


A theoretical study on a fullerene derivative C54N4 and some of its protonated forms
Türker, Burhan Lemi (Elsevier BV, 2004-07-05)
Semiempirical quantum chemical calculations at the level of AMI (restricted Hartree-Fock) have been performed on a fullerene derivative, C54N4, theoretically obtained from C-60 and its mono and diprotonated forms. All these structures are stable, but endothermic in nature. Some calculated geometrical and physicochemical properties of these have also been reported.
A theoretical study on certain iron-sulfur and iron-selenium clusters
Turker, L; Erkoç, Şakir (Elsevier BV, 2003-04-04)
[Fe4S4], [Fe4S3Se] and [Fe4Se4] type iron-sulfur and iron-sulfur-selenium and iron-selenium clusters, all having four cysteinyl moieties as ligands have been considered for ab initio quantum chemical analysis at the level of 6-31G (RHF). All the structures are found to be stable and the stability of Se containing structures increases as the number of Se atoms increases. The inter frontier molecular orbital energy gaps and the HOMO energies follow the same order.
An ab initio treatment on some isomeric structures of a small pseudocyclacene
Türker, Burhan Lemi (Elsevier BV, 2003-10-03)
At the level of 6-31G (RHF) type ab initio calculations, some structures isomeric with the pseudocyclacene are considered. Some structures have the same or almost the same energy values. This situation causes the pseudocyclacene structure to be vague at the level of calculations.
The strong dimer of Ge-60, Ge-116
Türker, Burhan Lemi (Elsevier BV, 2004-03-01)
The strong dimer of Ge-60, Ge-116, is considered for MNDOd and AM1 type semiempirical quantum chemical calculations within the limitations of restricted Hartree-Fock formalism. Both methods predict this, yet non-existent, structure to be stable but highly endothermic. Some geometrical and quantum chemical data are presented.
A Fourier-Bessel expansion for solving radial Schrodinger equation in two dimensions
Taşeli, Hasan (Wiley, 1997-02-15)
The spectrum of the two-dimensional Schrodinger equation for polynomial oscillators bounded by infinitely high potentials, where the eigenvalue problem is defined on a finite interval r is an element of [0, L), is variationally studied. The wave function is expanded into a Fourier-Bessel series, and matrix elements in terms of integrals involving Bessel functions are evaluated analytically. Numerical results presented accurate to 30 digits show that, by the time L approaches a critical value, the tow-lying ...
Citation Formats
S. M. Ikhdair and R. Sever, “A perturbative treatment for the bound states of the Hellmann potential,” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, pp. 103–113, 2007, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62419.