相关论文: Calculation of ionization within the close-couplin…
The association and dissociation of ion pairs in water are fundamental to physical chemistry, yet their reaction coordinates are complex, involving not only interionic distance but also solvent-mediated hydration structures. These processes…
Hyperspherical partial wave theory has been applied here in a new way in the calculation of the triple differential cross sections for the ionization of hydrogen atoms by electron impact at low energies for various equal-energy-sharing…
We present a systematic calculation of the charged current semi-inclusive deeply inelastic scattering process at leading order twist-3 level in the parton model. We consider the general form of the negatively charged beam scattering off the…
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…
A new relativistic method based on the Dirac equation for calculating fully differential cross sections for ionization in ion-atom collisions is developed. The method is applied to ionization of the atomic hydrogen by antiproton impact, as…
Total cross sections for single ionization and excitation of molecular hydrogen by antiproton impact are presented over a wide range of impact energy from 1 keV to 6.5 MeV. A nonpertubative time-dependent close-coupling method is applied to…
We report the implementation of 4-component spinor relativistic equation-of-motion coupledcluster method within the single- and double- excitation approximation to calculate ionization potential (EOM-CCSD) of molecules. We have applied this…
The ion sphere model introduced long ago by Salpeter is placed in a rigorous theoretical setting. The leading corrections to this model for very highly charged but dilute ions in thermal equilibrium with a weakly coupled, one-component…
In this paper, we have studied electron correlation and Gaunt interaction effects in ionization potentials (IPs) and hyperfine constants A of 2p$^2P_{1/2}$ and 2p$^2P_{3/2}$ states along with the fine structure splitting (FSS) between them…
Condensed ionic systems are described in the framework of a combined approach that takes into account both long-range and short-range interactions. Short-range interaction is expressed in terms of mean potentials and long-range interaction…
The analytic equation of state of nonideal Coulomb plasmas consisting of pointlike ions immersed in a polarizable electron background (physics/9807042) is improved, and its applicability range is considerably extended. First, the fit of the…
We determine the decoupling surfaces for the hydrodynamic description of heavy ion collisions at RHIC and LHC by comparing the local hydrodynamic expansion rate with the microscopic pion-pion scattering rate. The pion $p_T$ spectra for…
It is shown how the Canonical Function approach can be used to obtain accurate solutions for the distorted wave problem taking account of direct static and polarisation potentials and exact non-local exchange. Calculations are made for…
The propensity for ion-pairing can often dictate the thermodynamic and kinetic properties of electrolyte solutions. Fast and accurate estimates of ion-pairing can thus be extremely valuable for supplementing design and screening efforts for…
The model of coupled oscillators plays an important role in modern physics. It is used for description of various processes: from vibrations atoms in solid states to electromagnetic oscillations in slow-wave structures. The model with…
The Coulomb deexcitation of light exotic atoms in collisions with hydrogen atoms has been studied in the framework of the fully quantum-mechanical close-coupling method for the first time. The calculations of the $l$-averaged cross sections…
Recent studies on the solvation of atomistic and nanoscale solutes indicate that a strong coupling exists between the hydrophobic, dispersion, and electrostatic contributions to the solvation free energy, a facet not considered in current…
Hyperspherical close-coupling method is used to calculate the elastic, positronium formation and excitation cross sections for positron collisions with atomic hydrogen at energies below the H(n=4) threshold for the J=2 partial wave. The…
Physics based emulators offer a fast and reliable replacement for an exact solution of the scattering problem in nuclear physics. Previous work developed a reduced-basis emulator for single-channel elastic scattering using an optical…
We study multiple ionization in proton collisions with water, methane, and ammonia molecules using an independent-atom model. Previous work on total (net) capture and ionization cross sections is extended to treat the multiple ionization…