Theoretical studies of positron–molecule complexes

Abstract

LCAO–MO SCF Hartree–Fock theory is employed to investigate the properties of several positron–molecule systems. Three types of molecules are studied: polar molecules with dipole moments greater than 1.625 D, molecules with large quadrupole moments, and nonpolar molecules with high polarizabilities. For those systems which bind positrons, we compare the positron binding energies with the electron affinities. The stability of the positron complexes are examined both with respect to detachment of a positron and detachment of positronium.