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Two‐electron atomic systems confined within spheroidal boxes
Author(s) -
CorellaMadueño A.,
Rosas R. A.,
Marín J. L.,
Riera R.
Publication year - 2000
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(2000)77:2<509::aid-qua1>3.0.co;2-p
Subject(s) - wave function , polarizability , quadrupole , atomic physics , dipole , atom (system on chip) , electron , effective nuclear charge , chemistry , ion , physics , molecular physics , quantum mechanics , molecule , computer science , embedded system
The direct variational method is used to estimate some interesting physical properties of the He atom and the Li + ion confined within impenetrable spheroidal boxes. A comparative investigation of the ground‐state energy, pressure, polarizability, dipole, and quadrupole moments with those of the He atom inside boxes with paraboloidal walls is made. The overall results show a similar qualitative behavior. However, for Li + there are quantitative differences on such properties due to its major nuclear charge, as expected. The trial wave function is constructed as a product of two hydrogenic wave functions adapted to the geometry of the confining boxes. © 2000 John Wiley & Sons, Inc. Int J Quant Chem 77: 509–515, 2000