In multicomponent quantum chemistry, more than one type of particle is treated quantum
mechanically with either density functional theory or wave function based methods. In …

A doubly excited autodissociating resonant state in positronium hydride has been
discovered, which is situated in a Rydberg series converging to the H−(2 s 2)+ e+ threshold …

This work presents an extension of the projector operator embedding scheme of Manby et
al.[J. Chem. Theory Comput. 8, 2564 (2012)] in a multicomponent (MC) framework. Here, a …

The molecular R-matrix with pseudo-states (MRMPS) method is employed to study positron
collisions with H 2. The calculations employ pseudo-continuum orbital sets containing up to …

Highly accurate ground-state nonrelativistic variational calculations of Ps 2, H 1 Ps, and H∞
Ps are reported. The calculations have been performed using 5000 explicitly correlated …

We report experiments in which the line shape of the Lyman-alpha (1 S-2 P) transition was
measured for positronium (Ps) atoms both inside and outside a porous silica target. The …

A method to generate low-energy phase shifts for elastic scattering using bound-state
calculations is applied to the problem of e+-Mg and e+-Zn scattering after an initial validation …

The nuclear-electronic orbital explicitly correlated Hartree-Fock (NEO-XCHF) approach is
extended and applied to the positronic systems PsH, LiPs, and e+ LiH. In this …

In the application of the nuclear-electronic orbital (NEO) method to positronic systems, all
electrons and the positron are treated quantum mechanically on the same level. Explicit …

Positron binding energies and annihilation spectra are calculated using the positron-
electron correlation-polarization potential model for a series of six chloroethene molecules …