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On the behaviour of the wave function for the 2 3 S state of the two‐electron atom in the region where both electron–nuclear distances are small
Author(s) -
Sochilin G. B.
Publication year - 1969
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.560030305
Subject(s) - wave function , electron , singularity , neighbourhood (mathematics) , atom (system on chip) , atomic physics , physics , variational method , quantum mechanics , function (biology) , state (computer science) , mathematical physics , mathematical analysis , mathematics , biology , embedded system , algorithm , evolutionary biology , computer science
The expansion of the wave function for the 2 3 S state of the two‐electron atom in the neighbourhood of the singularity at r 1 = r 2 = 0 is considered. The restrictions imposed on the variational functions by this expansion are discussed. For the 2 3 S state of He, Li + , N 5+ the behaviour of the variational function based on the Fock expansion in the neighbourhood of this singularity is investigated. The agreement of the variational coefficients with the theoretical coefficients is satisfactory. The calculated values of E and 〈δ( r 2 )〉 for He, Li + , N 5+ are given.