Ground state for two-electron and electron-muon three-body atomic systems

K. V. RODRIGUEZ; L. U. ANCARANI; G. GASANEO; D. M. MITNIK

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Año: 2009 p. 1 - 13

0020-7608

ABSTRACT: In this article, the angular correlated configuration interaction method previously introduced by some of the authors is extended to three-body atomic systems with general masses. A recently proposed angularly correlated basis set is used to construct ground state wave functions which: (i) satisfy exactly Kato cusp conditions at the two-body coalescence points; (ii) have only linear coefficients; and (iii) show a fast convergency rate for the energy. The efficiency of the construction is illustrated by the study of the negatively charged hydrogen-like systems (H, T, D, 1H, and Mu), neutral helium-like systems (ee He2,ee 4He2, ee 3He2, e He2, e 4He2, and e 3He2), and positively charged lithium-like systems (ee Li3, ee 7Li3, ee 6Li3, e Li3, e 7Li3, and e 6Li3). The ground state energies and other mean values are compared with those given in the literature, when available. Wave functions with a moderate number of (20 maximum) linear coefficients are given explicitly; they are sufficiently simple and accurate to be used in practical calculations of atomic collision in which multidimensional integrations are involved.