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Ground state for two‐electron and electron‐muon three‐body atomic systems
Author(s) -
Rodriguez K. V.,
Ancarani L. U.,
Gasaneo G.,
Mitnik D. M.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.22356
Subject(s) - ground state , atomic physics , electron , wave function , helium atom , ion , physics , helium , chemistry , quantum mechanics
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