Ground State for Two-Electron and Electron-Muon Three-Body Atomic Systems

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

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

JOHN WILEY & SONS INC

Año: 2010 vol. 110 p. 1820 - 1832

0020-7608

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, neutral helium-like systems , and positively charged lithium-like systems . 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.