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We describe an empirical, self-consistent, orthogonal tight-binding model for zirconia, which allows for the polarizability of the anions at dipole and quadrupole levels and for crystal field splitting of the cation d orbitals. This is…

Materials Science · Physics 2009-10-31 Stefano Fabris , Anthony T. Paxton , Michael W. Finnis

The electronic conductance of a molecule making contact to electrodes is determined by the coupling of discrete molecular states to the continuum electrode density of states. Interactions between bound states and continua can be modeled…

Other Condensed Matter · Physics 2007-05-23 Thomas M. Henderson , Giorgos Fagas , Eoin Hyde , James C. Greer

Nonrelativistic collision of proton and antiproton with hydrogen atom described by solving time-dependent Schrodinger equation numerically. Coulomb wave function discrete variable method (CWDVR) had been used to calculate electron wave…

Atomic Physics · Physics 2019-07-02 Zorigt Gombosuren , Khenmedekh Lochin , Aldarmaa Chuluunbaatar

We present a theoretical study of the inelastic scattering of vortex electrons by a hydrogen atom. In our study, special emphasis is placed on the effects of the Coulomb interaction between a projectile electron and a target atom. To…

Atomic Physics · Physics 2024-12-12 S. Strnat , J. Sommerfeldt , A. K. Sahoo , L. Sharma , A. Surzhykov

A technique to deal with Coulomb electron distortions in the analysis of (e,e'p) reactions is presented. Thereby, no approximations are made. The suggested technique relies on a partial-wave expansion of the electron wave functions and a…

Nuclear Theory · Physics 2008-11-26 V. Van der Sluys , K. Heyde , J. Ryckebusch , M. Waroquier

The zero range potential is constructed for a system of two particles interacting via the Coulomb potential. The singular part of the asymptote of the wave function at the origin which is caused by the common effect of the zero range…

Atomic Physics · Physics 2015-06-05 S. L. Yakovlev , V. A. Gradusov

Recent experiments on the laser-induced resonant annihilation provide a precise measurement of transition energies of antiprotonic helium atoms. Relativistic corrections of an order of $\alpha ^2$ to the pure Coulomb interaction will be…

Nuclear Theory · Physics 2007-05-23 O. I. Kartavtsev

Bohr's model agreed with the hydrogen spectrum results, but did not agree with the spectrum of Helium. Here we show that Bohr's model-based methods can calculate the experimental value (-79.005 eV) of Helium ground state energy correctly.…

Computational Physics · Physics 2009-03-17 Youhei Tsubono

It is known that homogeneous distribution of particles in Coulomb-like systems can be unstable, and spatially inhomogeneous structures can be formed. A simple method for describing such inhomogeneous systems and obtaining spacial…

Statistical Mechanics · Physics 2015-06-16 B. I. Lev , V. P. Ostroukh , V. B. Tymchyshyn , A. G. Zagorodny

We review our recent progress in the determination of the high-density correlation energy $\Ec$ in two-electron systems. Several two-electron systems are considered, such as the well known helium-like ions (helium), and the Hooke's law atom…

Chemical Physics · Physics 2011-01-14 Pierre-François Loos , Peter M. W. Gill

Experimental results on partial photo-ionisation cross sections of helium are analysed in the light of recent advances in the semiclassical theory of two-electron atoms. Byun et al (arXiv:physics/0701086) predict that the total…

Atomic Physics · Physics 2009-11-13 Gregor Tanner , Nark Nyul Choi , Min-Ho Lee , Achim Czasch , Reinhard Doerner

We give a detailed account of an $\it{ab}$ $\it{initio}$ spectral approach for the calculation of energy spectra of two active electron atoms in a system of hyperspherical coordinates. In this system of coordinates, the Hamiltonian has the…

We investgate the breakup of one-neutron halo nuclei in the Coulomb field of a target nucleus. In the post-form distorted wave Born approximation theory of this reaction, with only Coulomb distortions in the entrance and the outgoing…

Nuclear Theory · Physics 2009-11-07 Prabir Banerjee , Gerhard Baur , Kai Hencken , Radhey Shyam , Dirk Trautmann

The self-energy screening correction is evaluated in a model in which the effect of the screening electron is represented as a first-order perturbation of the self energy by an effective potential. The effective potential is the Coulomb…

Atomic Physics · Physics 2009-11-06 P. Indelicato , Peter J. Mohr

The inelastic scattering of electrons on weakly-bound nuclei is studied with a simple model based on the long range behavior of the bound state wavefunction and on the effective-range expansion for the continuum wavefunctions. Three…

Nuclear Theory · Physics 2009-11-11 C. A. Bertulani

We use a nonlinear Schroedinger-Poisson equation to describe two interacting electrons with opposite spins confined in a parabolic potential, a quantum dot. We propose an effective form of the Poisson equation taking into account the…

Mesoscale and Nanoscale Physics · Physics 2013-07-01 Gilbert Reinisch , Vidar Gudmundsson

The virial and the Hellmann--Feynman theorems for massless Dirac electrons in a solid are derived and analyzed using generalized continuity equations and scaling transformations. Boundary conditions imposed on the wave function in a finite…

Mesoscale and Nanoscale Physics · Physics 2019-11-18 Alexey A. Sokolik , Andrey D. Zabolotskiy , Yurii E. Lozovik

Holmium 163 offers perhaps the best chance to determine the neutrino mass by electron capture. This contribution treats the electron capture in 163 Holmium completely relativistic for the overlap and exchange corrections and the description…

Nuclear Theory · Physics 2015-06-22 Amand Faessler , Loredana Gastaldo , M. F. Simkovic

Polymer self-consistent field theory techniques are used to find radial electron densities and total binding energies for isolated atoms. Quantum particles are modelled as Gaussian threads with ring-polymer architecture in a four…

Quantum Physics · Physics 2022-11-30 Russell B. Thompson

We report on a methodology for the treatment of the Coulomb energy and potential in Kohn-Sham density functional theory that is free from self-interaction effects. Specifically, we determine the Coulomb potential given as the functional…

Materials Science · Physics 2016-06-29 M. Däne , A. Gonis , D. M. Nicholson , G. M. Stocks
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