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Positron binding energies in halogenated hydrocarbons are calculated \emph{ab initio} using many-body theory. For chlorinated molecules, including planars for which the interaction is highly anisotropic, very good to excellent agreement…

Chemical Physics · Physics 2024-04-24 J. P. Cassidy , J. Hofierka , B. Cunningham , C. M. Rawlins , C. H. Patterson , D. G. Green

The calculations of the elementary atom (the Coulomb bound state of elementary particles) interaction with the atom of matter, which are performed in the Born approximation, are reviewed. We first discuss the nonrelativistic approach and…

High Energy Physics - Phenomenology · Physics 2007-05-23 Stanislaw Mrowczynski

The possibility of electron attachment to the valence $^{3}\Pi$ state of CO is examined using an {\it ab initio} bound-state multireference configuration interaction approach. The resulting resonance has $^{4}\Sigma^{-}$ symmetry; the…

Atomic Physics · Physics 2009-10-31 Sanjay Kumar , D. Mathur

Measured and calculated positron binding energies are presented for a range of hydrocarbons with up to six carbon atoms (viz., methane, acetylene, ethylene, ethane, propane, butane, and hexane) and their chlorinated counterparts. Both…

Atomic Physics · Physics 2021-07-27 A. R. Swann , G. F. Gribakin , J. R. Danielson , S. Ghosh , M. R. Natisin , C. M. Surko

Positron binding to anions is investigated within the work formalism proposed by Harbola and Sahni for the halide anions and the systems Li^- through O^- excluding Be^- and N^-. The toal ground-state energies of the anion-positron bound…

Atomic Physics · Physics 2009-10-31 Rajendra R. Zope

The proton analyzing power in carbon has been measured for energies of 82 to 217 MeV and proton scattering angles of 5 to 41 degrees. The measurements were carried out using polarized protons from the elastic scattering H(pol. e, pol. p)…

The annihilation parameters of positrons with electrons in different shells of Argon, Iron and Copper atoms are calculated below the positronium (Ps) formation thresholds. Quite accurate ab initio calculations of the bound state…

Atomic Physics · Physics 2007-11-06 M. A. Abdel-Raouf , M. M. Abdel-Mageed , S. Y. El-Bakry

High-precision calculations of the energy levels of the superheavy element Z=120 are presented. The relativistic Hartree-Fock and configuration interaction techniques are employed. The correlations between core and valence electrons are…

Atomic Physics · Physics 2022-01-07 T. H. Dinh , V. A. Dzuba , V. V. Flambaum , J. S. M. Ginges

High energy beams incident on a fixed target may scatter against atomic electrons. To a first approximation, one can treat these electrons as at rest. For precision experiments, however, it is important to be able to estimate the size of,…

High Energy Physics - Phenomenology · Physics 2024-09-24 Ryan Plestid , Mark B. Wise

The leading relativistic and QED corrections to the ground state energy of the three-body system (epe) are calculated numerically using a Hylleraas correlated basis set. The accuracy of the nonrelativistic variational ground state wave…

Atomic Physics · Physics 2007-05-23 M. Grigorescu , G. W. F. Drake

Electron-electron interactions and correlations form the basis of difficulties encountered in the theoretical solution of problems dealing with multi-electron systems. Accurate treatment of the electron-electron problem is likely to unravel…

Quantum Physics · Physics 2022-03-24 E. O. Jobunga

The electron affinity (EA) of superheavy element Og is calculated by the use of the relativistic Fock-space coupled cluster (FSCC) and configuration interaction methods. The FSCC cluster operator expansion included single, double, and…

The hydrogen atom as relativistic bound-state system of a proton and an electron in the complex-mass scheme is investigated. Interaction of a proton and an electron in the atom is described by the Lorentz-scalar Coulomb potential; the…

Quantum Physics · Physics 2019-03-19 Mikhail N. Sergeenko

The convergent close-coupling method is applied to the calculation of fully differential cross sections for ionization of atomic hydrogen by 15.6 eV electrons. We find that even at this low energy the method is able to yield predictive…

Atomic Physics · Physics 2009-10-31 Igor Bray

Energy levels of germanium, tin and lead together with their single, double and triple ionized positive ions have been calculated using the $V^{N-M}$ approximation suggested in the previous work (Dzuba, physics/0501032) (M=4 - number of…

Atomic Physics · Physics 2009-11-11 V. A. Dzuba

Theoretical calculations based on the Dirac--Coulomb--Breit relativistic coupled cluster method have been carried out for the electron affinities and ionization potentials of the superheavy element nihonium (Nh) and its lighter homologues…

Atomic Physics · Physics 2022-07-13 Yangyang Guo , Anastasia Borschevsky , Ephraim Eliav , Lukáš F. Pašteka

We calculate accurate potential energy curves for a ground-state He$^+$ ion interacting with a He atom in the lowest-energy metastable $^3\!S$ electronic state. We employ the full configuration interaction method, equivalent to exact…

Atomic Physics · Physics 2023-11-30 Jacek Gȩbala , Michał Przybytek , Marcin Gronowski , Michał Tomza

Accurate three-body quantal calculations of the system composed of a proton, an antiproton, and an electron are performed in perimetric coordinates with the Lagrange-mesh method, an approximate variational calculation with the simplicity of…

Nuclear Theory · Physics 2020-03-04 Daniel Baye , Jérémy Dohet-Eraly

The one-centre Coulomb-Sturmian convergent close-coupling method is applied to proton collisions with the boron atom and singly charged carbon ion. Here we report an update to our target-structure implementation, in which configuration…

Atomic Physics · Physics 2026-05-12 N. W. Antonio , I. B. Abdurakhmanov , A. E. Gayosso , A. S. Kadyrov

An attractive way to model nuclear quantum effects is to describe select nuclei quantum mechanically at the same level as the electrons. This non-Born-Oppenheimer (non-BO) method is known by many names including the nuclear-electronic…

Chemical Physics · Physics 2026-04-20 Luukas Nikkanen , Susi Lehtola