相关论文: Docking positrophilic electrons into molecular att…

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…

Enhanced positron annihilation on polyatomic molecules is a long-standing and complex problem. We report the results of calculations of resonant positron annihilation on methyl halides. A free parameter of our theory is the positron binding…

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…

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…

The model-potential approach previously developed by the authors to study positron interactions with molecules is used to calculate the positron binding energy for $n$-alkanes (C$_n$H$_{2n+2}$) and the corresponding cycloalkanes…

Calculations of the relaxation energy, contact pair-correlation function, and annihilating-pair momentum density for a single positron immersed in a homogeneous electron gas are presented. We achieve an accurate description of the…

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…

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…

A model-potential approach to calculating positron-molecule binding energies and annihilation rates is developed. Unlike existing ab initio calculations, which have mostly been applied to strongly polar molecules, the present methodology…

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…

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…

The electron-positron annihilation process is investigated within the framework of Podolsky's generalized electrodynamics at finite temperature. In this theory, a higher-derivative term modifies the photonic kinetic sector, introducing a…

The dominant mechanism of low-energy positron annihilation in polyatomic molecules is through positron capture in vibrational Feshbach resonances (VFR). In this paper we investigate theoretically the effect of anharmonic terms in the…

In this paper, we discuss the dissociative electron attachment process in Methane. Kinetic energy and angular distributions of H^{-} and CH_{2}^{-} fragment anions across the broad resonance about 10 eV is reported. Angular distribution of…

A model-potential approach has been developed to study positron interactions with molecules. Binding energies and annihilation rates are calculated for positron bound states with a range of alkane molecules, including rings and isomers. The…

A model for positron binding to polar molecules is considered by combining the dipole potential outside the molecule with a strongly repulsive core of a given radius. Using existing experimental data on binding energies leads to…

We study fragmentation in electron-positron annihilation assuming a di-jet situation, using variables defined independent of any frame. In a collinear situation some of the variables are centered around zero with the small deviations…

A brief review is given of recent positron studies of metal and semiconductor nanocrystals. The prospects offered by positron annihilation as a sensitive method to access nanocrystal (NC) properties are described and compared with other…

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…

The aim of this work is to identify the mechanisms responsible for very large rates and other peculiarities observed in low-energy positron annihilation on molecules. The two mechanisms considered are: (i) Direct annihilation of the…