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Variational treatment on the energy of the He‐sequence ground state with weakest bound electron potential model theory
Author(s) -
Ma DongXia,
Zheng NengWu,
Fan Jing
Publication year - 2005
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.20671
Subject(s) - antisymmetric relation , wave function , ground state , electron , bound state , physics , sequence (biology) , spin (aerodynamics) , quantum mechanics , upper and lower bounds , atomic physics , function (biology) , variational method , chemistry , mathematics , mathematical physics , thermodynamics , mathematical analysis , biochemistry , evolutionary biology , biology
Abstract The concept of spin–orbital of the weakest bound electron is described used to construct the antisymmetric wave function of atomic or ionic systems within weakest bound electron potential model theory (WBEPM theory). The total energies of He‐sequence ( Z = 2–9) in the ground states is calculated with a variational method. The effect of fixed orbital approximation is discussed quantitatively. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005