相关论文: Many-body theory and Gaussian-basis implementation…
A many-body theory approach to the calculation of gamma spectra of positron annihilation on many-electron atoms is developed. We evaluate the first-order correlation correction to the annihilation vertex and perform numerical calculations…
Many-body theory is developed to calculate the $\gamma$-spectra for positron annihilation with valence and core electrons in the noble gas atoms. A proper inclusion of correlation effects and core annihilation provides for an accurate…
$\gamma$-ray spectra for positron annihilation with the core and valence electrons of the noble gas atoms Ar, Kr and Xe is calculated within the framework of diagrammatic many-body theory. The effect of positron-atom and short-range…
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.…
Positron scattering and annihilation on noble gas atoms below the positronium formation threshold is studied ab initio using many-body theory methods. The many-body theory provides a near-complete understanding of the…
Diagrammatic many-body theory is used to calculate the scattering phase shifts, normalized annihilation rates $Z_{\rm eff}$ and annihilation gamma spectra for positron collisions with the hydrogen-like ions He$^+$, Li$^{2+}$, B$^{4+}$ and…
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…
Positrons bind to molecules leading to vibrational excitation and spectacularly enhanced annihilation. Whilst positron binding energies have been measured via resonant annihilation spectra for $\sim$90 molecules in the past two decades, an…
In the article by Ma~\emph{et al.}~[Phys.~Rev.~A {\bf 94}, 052709 (2016)], $\gamma$-ray spectra for positron annihilation on molecules were calculated in the independent-particle approximation with the positron wavefunction set to unity.…
Positron binding energies in the negative ions H$^-$, F$^-$, Cl$^-$ and Br$^-$, and the closed-shell atoms Be, Mg, Zn and Ca, are calculated via a many-body theory approach developed by the authors [J.~Hofierka \emph{et al.} Nature~{\bf…
$\gamma$ spectra for positron annihilation in noble-gas atoms are calculated using many-body theory for positron momenta up to the positronium-formation threshold. This data is used, together with time-evolving positron-momentum…
The many-body-theory approach to positronium-atom interactions developed in [Phys. Rev. Lett. \textbf{120}, 183402 (2018)] is applied to the sequence of noble-gas atoms He-Xe. The Dyson equation is solved separately for an electron and…
A many-body theory approach developed by the authors [Phys. Rev. A 70, 032720 (2004)] is applied to positron bound states and annihilation rates in atomic systems. Within the formalism, full account of virtual positronium (Ps) formation is…
The recently developed ab initio many-body theory of positron molecule binding [J. Hofierka et al., Nature, 606, 688 (2022)] is combined with the shifted pseudostates method [A. R. Swann and G. F. Gribakin, Phys. Rev. A 101, 022702 (2020)]…
Annihilation spectra are presented for aromatic and heterocyclic ring molecules resolved as a function of incident positron energy using a trap-based positron beam. Comparisons with the vibrational mode spectra yield positron-molecule…
In this study, a fully self-consistent method was developed to obtain the wave functions of the positron and electrons in molecules simultaneously. The wave function of a positron at room temperature , with a characteristic energy of…
Bound electron contribution to the Doppler-shift of gamma-ray spectra in the positron-electron annihilation process of molecular methane has been studied in gas phase. Two accurate ab initio quantum mechanical schemes, i.e. the delocalized…
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…
A problem to account for the direct electron-positron annihilation in positron-hydrogen scattering above the positronium formation threshold has been resolved within the time independent formalism. The generalization of the optical theorem…
The positron-electron annihilation gamma-ray spectra of linear alkanes CnH2n+2 (n=1-12) have been studied systematically. A profile quality (PQ) parameter, is introduced to assess the agreement between the obtained theoretical profiles and…