The any particle molecular orbital (APMO) approach extends regular electronic structure
methods to study atomic and molecular systems in which electrons and other particles are …

The positron, as the antiparticle of the electron, can form metastable states with atoms and
molecules before its annihilation with an electron. Such metastable matter–positron …

We show that two positrons can form a chemical bond between two otherwise repelling ions,
similar to what happens to two hydrogen atoms forming a hydrogen molecule. Two …

A model-potential approach to calculating positron-molecule binding energies and
annihilation rates is developed. Unlike existing ab initio calculations, which have mostly …

We recently extended the electron propagator theory to any type of quantum species based
in the framework of the Any-Particle Molecular Orbital (APMO) approach [J. Romero, E …

Computational studies have shown that one or more positrons can stabilize two repelling
atomic anions through the formation of two-center positronic bonds. In the present work, we …

We studied the positron (e+) interaction with the hydrogen molecular dianion H 2 2− to form
the positronic bound state of [H−; e+; H−] using the first-principles quantum Monte Carlo …

We report a computational study on homo-and heteronuclear e+ [X− Y−] compounds formed
by two halide anions (X−, Y−= F−, Cl−, Br−) and one positron. Our results indicate the …

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 …

A major challenge in contemporary electronic structure theory involves the development of
methods to describe in a balanced manner the contribution of correlation effects to energy …