Correlated Wave Functions for Electron–Positron Interactions in Atoms and Molecules
Jorge Charry, Matteo Barborini, Alexandre Tkatchenko
Abstract
), for which we calculate accurate spectroscopic properties by using a dense interpolation of the PES. We demonstrate the reliability and transferability of our correlated wave functions for electron-positron interactions with respect to state-of-the-art calculations reported in the literature.
Topics & Concepts
PositronWave functionPhysicsGeminalAtomic orbitalAtomic physicsElectronPositroniumAtoms in moleculesMolecular physicsChemistryQuantum mechanicsStereochemistryMuon and positron interactions and applicationsAdvanced Chemical Physics StudiesAmmonia Synthesis and Nitrogen Reduction