Comment on ‘‘Ab initio calculation of [OH−; e+] system with consideration of electron correlation effect’’ [J. Chem. Phys. 101, 5925 (1994)]

Abstract

A calculation of the positronium affinity of the hydroxyl radical (equivalently, the binding energy of positronium hydroxide, PsOH), recently reported by Tachikawa et al., is in error because an incorrect value of the electron affinity of OH was combined with their calculated positron affinity of the hydroxide anion. When the correct value of the electron affinity of OH is used, the calculated binding energy of PsOH changes sign, and PsOH is predicted to be unstable to dissociation. Thus, the conclusion reported by Tachikawa et al., namely, that PsOH is stable, is not supported by their calculations.

Molecular Structure of Water-Like Positronium Complexes

“…In the case of PsOH, any state supported by the ground state PES will dissociate in Ps + OH, as discussed in Ref. [8]. We have really found it by stretching the coordinate Ps-OH, allowing the bond OH to relax.…”