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

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 − , 1 H − , and Mu − ), neutral helium‐like systems (e − e − ∞ He +2 ,e − e − 4 He +2 , e − e − 3 He +2 , e − μ − ∞ He +2 , e − μ −4 He +2 , and e − μ − 3 He +2 ), and positively charged lithium‐like systems (e − e − ∞ Li +3 , e − e − 7 Li +3 , e − e − 6 Li +3 , e − μ − ∞ Li +3 , e − μ − 7 Li +3 , and e − μ − 6 Li +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 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. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010