Related papers: Full correlation single-particle positron potentia…
Electron-positron interactions have been utilized in various fields of science. Here we develop time-dependent multi-component density functional theory to study the coupled electron-positron dynamics from first principles. We prove that…
Many-body correlation plays a crucial role in the low-energy positron-molecule scattering dynamics. In the present work, we have integrated a recent model correlation potential, developed by Swann and Gribakin, with the single-center…
The recent theoretical and experimental activities in positronium (Ps) scattering by atoms and molecules are reviewed with special emphasis at low energies. We critically compare the results of different groups $-$ theoretical and…
Using a complex model potential, we have calculated the total, integrated elastic, momentum transfer, absorption, and differential cross sections for positrons scattered from molecular hydrogen. The widely available software package…
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 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…
The scattering of ortho-positronium (Ps) by hydrogen atoms has been investigated in a five-state coupled-channel model allowing for Ps(1s)H(2s,2p) and Ps(2s,2p)H(1s) excitations using a recently proposed electron-exchange model potential.…
The many-body system comprising a He nucleus, three electrons, and a positron has been studied using the exact diagonalization technique. The purpose has been to clarify to which extent the system can be considered as a distinguishable…
Different computational methods are employed to evaluate elastic (rotationally summed) integral and differential cross sections for low energy (below about 10 eV) positron scattering off gas-phase C$_2$H$_2$ molecules. The computations are…
We investigate the modeling of positronium (Ps) states and their pick-off annihilation trapped at open volumes pockets in condensed molecular matter. Our starting point is the interacting many-body system of Ps and a He atom because it is…
The production of a Bose-Einstein condensate made of positronium may be feasible in the near future. Below the condensation temperature, the positronium collision process is modified by the presence of the condensate. This makes the…
We calculate the `exact' potential corresponding to a one-dimensional interacting system of two electrons with a specific, tailored density. We use one-dimensional density-functional theory with a local-density approximation (LDA) on the…
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…
The positron-hydrogen atom scattering system is considered within the S-wave model. Convergence in the elastic scattering, excitation, ionization, and positronium formation channels is studied as a function of the number and type of states…
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…
New results are presented for Ps(1s) scattering by H(1s), He(1$^1$S) and Li(2s). Calculations have been performed in a coupled state framework, usually employing pseudostates, and allowing for excitation of both the Ps and the atom. In the…
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…
We present a new method to calculate the total ion-ion interaction potential in terms of building blocks which we refer to as "single-particle interaction potentials". This allows also to compose the separate contributions from neutrons and…
Self-interactions (SIs) are a major problem in density functional approximations and the source of serious divergence from experimental results. Here, we propose to optimize density functional total energies in terms of the effective local…
The scattering of ortho positronium (Ps) by H$_2$ has been investigated using a three-Ps-state [Ps(1s,2s,2p)H$_2($X $^1\Sigma_g^+$)] coupled-channel model and using Born approximation for higher excitations and ionization of Ps and B…