Theoretical Study of the Binding of Positrons of Gaseous Molecules

摘要

While a positron will not readily become attached to a neutral symmetrical atom or molecule, it will be bound by negatively charged molecules and molecular fragments. The positron affinities have been calculated for certain isoelectronic series using a Hartee-Fock Hamiltonian with large basis sets of GTO's. The neutral fluorine atom, the OH fragment, and the fluoride and hydroxyl anions are examples of a series investigated.