Matteo Barborini

1. Introduction Click to copy section linkSection link copied! The modeling of many important chemical and physical phenomena requires the accurate description of a manifold of energetic, spatial, and temporal scales, that typically cover several orders of magnitude.

We develop a quantum embedding method that enables accurate and efficient treatment of interactions between molecules and an environment, while explicitly including many-body correlations. The molecule is composed of classical nuclei and quantum electrons, whereas the environment is modeled via charged quantum harmonic oscillators. We construct a general Hamiltonian and introduce a variational Ansatz for the correlated ground state of the fully interacting molecule-environment system.

The three-center two-positron bond Jorge Alfonso Charry Martínez, Felix Moncada, Matteo Barborini, Laura Milena Pedraza González, Marcio Teixeira Varella, Alexandre Tkatchenko and Andrés Reyes Abstract 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 study the energetic stability of a system containing two positrons and three hydride anions, namely 2e+[H3-3].