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Convergence of the orbital expansion in a correlated system: A test study on positronium by Gian Luigi Bendazzoli; Stefano Evangelisti; Thierry Leininger is a Physics and Astronomy article available to read on EtoBox.

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## Abstract Positronium, the bound state of an electron and a positron, is an exactly soluble quantum system, similar to a light isotope of hydrogen. It can be studied using the finite basis quantum chemistry codes developed for atoms and molecules. In fact, positronium can be mimicked by two electrons with opposite spins, in the absence of any nucleus and having the sign of the Coulomb interaction reversed. The exact wave function has a cusp in the points of coalescence of the two particles (a “Coulomb peak”), and this fact makes the convergence of the total energy, as a function of the basis set size, extremely slow. For this reason, positronium can be used to test the convergence properties of the quantum chemistry methods used to describe the dynamic correlation. © 2001 John Wiley & Sons, Inc. Int J Quantum Chem, 2001

Who reads Convergence of the orbital expansion in a correlated system: A test study on positronium?

Author

Gian Luigi Bendazzoli; Stefano Evangelisti; Thierry Leininger

Publisher

John Wiley and Sons; Wiley (John Wiley & Sons); John Wiley & Sons Inc.; Wiley (ISSN 0020-7608)

Published

2001

Language

EN

Field

Physics and Astronomy (Physical Sciences)