Please use this identifier to cite or link to this item: http://hdl.handle.net/1843/64084
Type: Artigo de Periódico
Title: Machine learning predictions of positron binding to molecules
Authors: Paulo Henrique Ribeiro Amaral
José Rachid Mohallem
Abstract: Machine-learning techniques are used to check the theoretical and experimental predictions of positron binding to general molecules. The bound or unbound character of previous calculations for polar molecules are mostly confirmed. Binding for so far unexplored polar molecules is predicted. For apolar molecules, a formula for the binding energy in terms of isotropic polarizability and ionization potential is obtained, leading to unprecedented agreement with experiments as well as prediction of previously unidentified bound systems. The role of the ionization potential is suggested as a consequence of enhanced formation of virtual positronium at short distances.
Subject: Elétrons
language: eng
metadata.dc.publisher.country: Brasil
Publisher: Universidade Federal de Minas Gerais
Publisher Initials: UFMG
metadata.dc.publisher.department: ICX - DEPARTAMENTO DE FÍSICA
Rights: Acesso Restrito
metadata.dc.identifier.doi: https://doi.org/10.1103/PhysRevA.102.052808
URI: http://hdl.handle.net/1843/64084
Issue Date: 2020
metadata.dc.url.externa: https://journals.aps.org/pra/abstract/10.1103/PhysRevA.102.052808
metadata.dc.relation.ispartof: Physical Review A
Appears in Collections:Artigo de Periódico

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