Related papers: Ionization potentials and electron affinity of oga…
A theory for an electron affinity of ionic clusters is proposed both in a quasiclassical approach and with quantization of a polarization electric field in a nanoparticle. An interaction of an electron with longitudinal optical phonons in…
The motion of electrons and ions in medium-sized rare gas clusters (1000 atoms) exposed to intense laser pulses is studied microscopically by means of classical molecular dynamics using a hierarchical tree code. Pulse parameters for optimum…
The open-shell reference relativistic equation-of-motion coupled-cluster method within its four-component description is successfully implemented with the consideration of single- and double- excitation approximation. The one-body and…
Regge-pole calculated low-energy electron elastic total cross sections (TCSs) for complex heavy atoms and fullerene molecules are characterized generally by ground, metastable, and excited negative-ion formation, shape resonances and…
Spatial localization of the electrons of an atom or molecule is studied in models of non-relativistic matter coupled to quantized radiation. We give two definitions of the ionization threshold. One in terms of spectral data of cluster…
We report computations of the vertical ionization potentials within the $GW$ approximation of the near-complete series of first-row transition metal (V-Cu) aqua ions in their most common oxidation states, i.e. V$^{3+}$, Cr$^{3+}$,…
The electron-detachment energy is measured by its ionization potential (IP). As a result, it is a fundamental observable and important molecular electronic signature in photoelectron spectroscopy. A precise theoretical prediction of…
In the framework of a QCD inspired relativistic potential model, we evaluate radiative decay rates of heavy mesons and their coupling with soft pions. The agreement with the existing experimental data is satisfactory. In the limit $m_Q \to…
Band structures for solid rare gases (Ne, Ar) have been calculated using the GW approximation. All electron and pseudopotential ab initio calculations were performed using Gaussian orbital basis sets and the dependence of particle-hole gaps…
We carried out detailed high-precision study of Ag-like Nd$^{13+}$, Sm$^{15+}$ and In-like Ce$^{9+}$, Pr$^{10+}$, Nd$^{11+}$, Sm$^{13+}$, Eu$^{14+}$ highly-charged ions. These ions were identified to be of particular interest to the…
The ion populations most frequently adopted for diagnostics in collisional plasmas are derived from the density independent, coronal approximation. In higher density, lower temperature conditions, ionisation rates are enhanced once…
We study $N$-electron atoms with nuclear charge $Z$. It is well known that, in the cationic ($Z > N$) high-$Z$ region, the atom behaves as a weakly interacting system. The anionic ($Z < N$) regime, on the other hand, is characterized by an…
We use the Quantum Hypernetted Chain Approximation (QHNC) to calculate the ion-ion and electron-ion correlations for liquid metallic Li, Be, Na, Mg, Al, K, Ca, and Ga. We discuss trends in electron-ion structure factors and radial…
We summarise a recent study looking at top quark polarisation effects in charged Higgs boson production. Lab frame angular and energy observables relating to leptonic decays of top quarks are analysed, and corresponding asymmetry parameters…
We present the systematic QED treatment of the electron correlation effects on the $g$ factor of lithiumlike ions for the wide range of nuclear charge number $Z= 14$ -- $82$. The one- and two-photon exchange corrections are evaluated…
We investigate the role of the electron correlation effects in the calculations of the electric dipole polarizabilities (\alpha) of elements belonging to three different groups of periodic table. To understand the propagation of the…
We describe a self consistent magnetic tight-binding theory based in an expansion of the Hohenberg-Kohn density functional to second order, about a non spin polarised reference density. We show how a first order expansion about a density…
The local electronic structure of YBa2Cu3O7 has been calculated using first-principles cluster methods. Several clusters embedded in an appropriate background potential have been investigated. The electric field gradients at the copper and…
We have studied the structure and properties of potassium clusters containing even number of atoms ranging from 2 to 20 at the ab initio level. The geometry optimization calculations are performed using all-electron density functional…
We consider the effect of the nearest neighbour copper-oxygen repulsion, V, when coupled to the charge transfer resonances Cu2+ to Cu3+ and Cu2+ to Cu+ in the high temperature cuprate superconductors. This is done by deriving effective low…