Related papers: Electron collision studies on the CH$_2^+$ molecul…
We review recent ab initio molecular dynamics studies of electrode/electrolyte interfaces in lithium ion batteries. Our goals are to introduce experimentalists to simulation techniques applicable to models which are arguably most faithful…
The Coulomb logarithm often enters various plasma models and simulation methods for computing the transport and relaxation properties of plasmas. Traditionally, a classical pair collision picture was used to calculate the Coulomb logarithm…
In this paper we discuss how through the process of applying the Fourier transform to solutions of the Schr\"odinger equation in the Close Coupling approach, good results for the ionization differential cross section in energy for electrons…
In a double-slit experiment with a bipartite system, the visibility of interference fringes depends on the availability of which-way information. Here, we report the formation of a Bell-like state of photoelectron and residual ion in the…
An electron ion collider has been proposed in China (EicC). It is anticipated that the facility would provide polarised electrons, protons and ion beams, in collisions with large centre-of-mass energy. This discussion highlights its…
Recent experimental and theoretical (both improved semiclassical and fully quantum-mechanical) results for B III and Ne VII delta n = 0 transitions with n = 2 or 3, respectively, are discussed. The probable reasons for disagreements by…
Ionization collisions have important consequences in many physical phenomena, and the mechanism that leads to ionization is not universal. Double differential cross sections (DDCSs) are often used to identify ionization mechanisms because…
We perform a study on extended adiabatic potential energy curves of nearly 38 states of 1,3$\Sigma^+$, 1,3$\Pi$ and 1,3$\Delta$ symmetries for the (SrNa)$^+$ ion, though only the ground and first two excited states are used for the study of…
In this communication, we present the results of the Five-fold Differential Cross Section (5DCS) and Triple Differential Cross Section (TDCS) for the (e,2e) process on molecular hydrogen ($H_2$) by the plane wave and the twisted electron…
Calculations have been made for the double differential cross section (DDCS) for the ionization of metastable hydrogen atoms in the 3S state by electron and positron impact at energies of 150 eV and 250 eV. The authors implemented the…
New ways to treat electron correlation in electronic structure problems are discussed in the context of many-electron theory. The present work focuses primarily on static correlation. In related work, a method for including dynamical…
In this paper, using a standard quantum chemistry approach based on pseudopotentials for atomic core representation, Gaussian basis sets, and effective core polarization potentials, we investigate the electronic properties of the MgH$^+$…
Differential cross sections for electromagnetic dissociation in nucleus-nucleus collisions are calculated. The kinetic energy distribution is parameterized with a Boltzmann distribution and the angular distribution is assumed isotropic in…
Electromagnetic interactions of protons and alpha particles are modeled in a form that is suitable for Monte Carlo simulation of the transport of charged particles. The differential cross section (DCS) for elastic collisions with neutral…
Small carbon hydride cations, such as the methylidyne ion (CH$^+$), play an important role in the chemistry of the interstellar medium (ISM). They participate in gas-phase reaction networks leading to the formation of hydrocarbon species…
Calculation of the differential cross section for the dielectronic recombination with two-electron uranium within the framework of QED is presented. The polarization of the emitted photon is investigated. The contributions of the Breit…
$R$-matrix calculations of the electron collisions with lithium atom at energies below the $3s$ excitation threshold are presented. The $^1S^e$, $^3S^e$ and $^1P^o$ phase shifts calculated in the near-threshold energy range are in excellent…
Atoms and ions of Lanthanides have multiple opens shells along with an open $4f^k$ subshell. This paper studies the effect of electron correlation in such systems and how wave functions can be determined for the accurate prediction of…
Differential cross sections are computed for the title polar molecule using static interaction, exchange forces and correlation-polarisation effects as described in detail in the main text. The dipole effect is also reported via the dipole…
A simple modification of the semiempirical model of Shevelko et al (J. Phys. B: At. Mol. Opt. Phys. 38, 525 (2005)) is proposed for the calculation of electron impact double ionization cross section of He^0, Li^(0,1+), B^(1+), C^(1+,3+),…