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CFPHGLF calculation of 3 S excited states for heliumlike three‐body systems
Author(s) -
Wang Yixuan,
Deng Conghao
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)61:1<101::aid-qua12>3.0.co;2-h
Subject(s) - laguerre polynomials , harmonics , excited state , atomic physics , ionization energy , function (biology) , physics , helium atom , atom (system on chip) , chemistry , bound state , quantum mechanics , ionization , helium , ion , voltage , evolutionary biology , computer science , embedded system , biology
The correlation‐function potential‐harmonic and generalized Laguerre function method (CFPHGLF) proposed recently by us is used to directly solve the Schrödinger equations of low‐lying triplet states n 3 S ( n = 2‐5) for a set of heliumlike systems, including He, Li + , and Be 2+ . The eigenenergies converge fast and steadily with potential harmonics (PH) and generalized Laguerre functions (GLF). With 10 PH, the percentage errors in the convergent ionization energies for 2 3 S , 3 3 S , 4 3 S , and 5 3 S states of the helium atom are 0.548, 0.291, 0.247, and 0.265% relative to the Hylleraas CI variational values. Somewhat better precision is achieved for Li + and Be 2+ systems. © 1997 John Wiley & Sons, Inc.