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

JOHN WILEY & SONS INC

Lugar: New York; Año: 2010 p. 1820 - 1832

0020-7608

In this paper 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; (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 ( He+2, 4He+2, 3He+2, He+2, 4He+2 and 3He+2), and positively charged lithium-like systems ( Li+3, 7Li+3, 6Li+3, Li+3, 7Li+3 and 6Li+3). The ground state energies and other mean values are compared with those given in the literature, when available. Wave functions with a moderate number (20 maximum) linear coefficients are given explicitly; they are sufficiently simple and sufficiently accurate to be used in practical calculations of atomic collision in which multi-dimensional integrations are involved.