Related papers: Positron Binding and Annihilation in Alkane Molecu…
Positronium annihilation amplitudes that are computed by assuming a factorization approximation with on-shell intermediate leptons, do not exhibit good analytical behavior. We propose an ansatz which allows to include binding energy…
The existence of a second bound state of PsH that is electronically stable and also stable against positron annihilation by the normal 2gamma and 3gamma processes is demonstrated by explicit calculation. The state can be found in the 2,4So…
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…
We present the positron coupled cluster singles and doubles (POS-CCSD) method to calculate positron binding energies in molecules. This framework treats electrons and positrons on an equal footing and includes up to simultaneous…
We treat the old problem of the proton-neutron bound state (the deuteron). Using a new concept of incomplete (partial) annihilation process we derive a formula for the binding energy of the deuteron, which does not contain any new constant.…
Rates of the two-, three-, four- and five-photon annihilations of the electron-positron pairs are determined numerically for the three-body positronium ion Ps$^-$ ($e^- e^+ e^-$) and four-body bi-positronium `molecule' Ps$_2$ ($e^- e^+ e^-…
The total energy and other bound state properties of the ground (bound) $1^{1}S$-state in the Ps$^{-}$ (or $e^{-}e^{+}e^{-}$) ion are determined to very high accuracy. Our best variational energy for the ground state in this ion equals $E$…
We present first-principles approaches based on density functional theory for calculating positron states and annihilation characteristics in condensed matter. The treatment of the electron-positron correlation effects (the enhancement of…
The Configuration Interaction (CI) method using orbitals centered on the nucleus has recently been applied to calculate the interactions of positrons interacting with atoms. Computational investigations of the convergence properties of…
The two-photon annihilation of a positron with an electron bound in the 1s state of a H-like ion is calculated within the fully relativistic QED framework. The interaction with the nucleus is treated nonperturbatively, thus allowing the…
Positron binding energies and Dyson orbitals for five-membered heterocycles with N, O, S and NH substituents are predicted \emph{ab initio} via many-body theory. The positron-molecule correlation potential (self energy) is calculated via…
Bound state properties of the ground (bound) ${}^{1}S(L = 0)-$state(s) in the four-body positronium hydrides ${}^{1}$HPs, ${}^{2}$HPs (DPs), ${}^{3}$HPs (TPs) and MuPs are determined and investigated. By using numerical data from our…
Positron binding to silver and gold atoms was studied using a fully {\it ab initio} relativistic method, which combines the configuration interaction method with many-body perturbation theory. It was found that the silver atom forms a bound…
Bound states of dipole-bound negative anions are studied by using a non-adiabatic pseudopotential method and the Berggren expansion involving bound states, decaying resonant states, and non-resonant scattering continuum. The method is…
The energy interval between the ground and the P-wave excited states of the recently discovered positronium molecule Ps_2 is evaluated, including the relativistic and the leading logarithmic radiative corrections, E_P-E_S = 0.181 586 7(8)…
Mijnarends et al. [J. Phys. Condens. Matter {\bf 10}, 10383 (1998)] contested the best existing calculations of positron annihilation rates in jellium and crystal lattices, pointing in this way at deficiencies of existing theories of…
Calculations of gamma spectra for positron annihilation on a selection of molecules, including methane and its fluoro-substitutes, ethane, propane, butane and benzene are presented. The annihilation gamma spectra characterise the momentum…
A new, hitherto unknown bound state of the positronium molecule, with orbital angular momentum L=1 and negative parity is reported. This state is stable against autodissociation even if the masses of the positive and negative charges are…
Recently it has been proposed that the positron, the anti-particle analog of the electron, is capable of forming an anti-matter bond in a composite system of two hydride anions and a positron [Angew. Chem. Int. Ed. 57, 8859 (2018)]. In…
A many-body theory approach is developed for the problem of positron-atom scattering and annihilation. Strong electron-positron correlations are included non-perturbatively through the calculation of the electron-positron vertex function.…