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Hydrogenlike atoms in uniformly charged sphere model of atomic nucleus. II. Application of basis‐set expansion method
Author(s) -
Matsuoka O.,
Fujimura N.,
Hasegawa T.
Publication year - 1991
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.560390606
Subject(s) - exponent , basis (linear algebra) , basis set , physics , gaussian , electron , relativistic quantum chemistry , atomic physics , basis function , atomic nucleus , point particle , quantum mechanics , mathematics , geometry , molecule , philosophy , linguistics
The basis‐set expansion method has been applied to the nonrelativistic and relativistic ground states of one‐electron atoms H, Ar 17+ , Xe 53+ , Hg 79+ , and U 91+ in the uniformly charged sphere ( UCS ) and the point‐change ( PC ) models of atomic nucleus, using the Gaussian‐type basis functions. The energies and the radial expectation values, especially 1/ r 2 , converges faster in the UCS model than in the PC model. In the PC model, larger values of the exponent parameters of the basis functions are required both in the nonrelativistic and the relativistic calculations. Even in the UCS model, the larger values of the exponent parameters are needed in the relativistic calculations.