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Accurate nonrelativistic energies for 2 P e states of the Li isoelectronic series
Author(s) -
Barrois René,
Lüchow Arne,
Kleindienst Heinz
Publication year - 1997
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/(sici)1097-461x(1997)62:1<77::aid-qua8>3.0.co;2-0
Subject(s) - series (stratigraphy) , chemistry , atomic physics , state (computer science) , bound state , isotope , computational chemistry , physics , quantum mechanics , mathematics , algorithm , paleontology , biology
Highly accurate upper bounds for several 2 P e states of the Li isoelectronic series obtained by extensive Hylleraas‐Cl calculations are given. The best value for the 2 2 P e state (1 s 2 p 2 ) of Li is −5.2137392 0 au. The evaluation of the occurring integrals is given explicitly. Additionally, we present some expectation values and isotope energies of the Li isoelectronic series. © 1997 John Wiley & Sons, Inc.