Many-body theory of positron binding to polyatomic molecules.

ABSTRACT: Positron binding to molecules is key to extremely enhanced positron annihilation and positron-based molecular spectroscopy¹. Although positron binding energies have been measured for about 90 polyatomic molecules^1-6, an accurate ab initio theoretical description of positron-molecule binding has remained elusive. Of the molecules studied experimentally, ab initio calculations exist for only six; these calculations agree with experiments on polar molecules to at best 25 per cent accuracy and fail to predict binding in nonpolar molecules. The theoretical challenge stems from the need to accurately describe the strong many-body correlations including polarization of the electron cloud, screening of the electron-positron Coulomb interaction and the unique process of virtua

SUBMITTER: Hofierka J 

PROVIDER: S-EPMC9217750 | biostudies-literature | 2022 Jun

REPOSITORIES: biostudies-literature