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Helium atom inside boxes with paraboloidal walls
Author(s) -
LeyKoo E.,
FloresFlores A.
Publication year - 1998
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(1998)66:2<123::aid-qua3>3.0.co;2-x
Subject(s) - polarizability , helium atom , atomic physics , quadrupole , atom (system on chip) , helium , harmonic oscillator , chemistry , ground state , coulomb , potential energy , physics , quantum mechanics , electron , molecule , embedded system , computer science
The ground‐state energy of the helium atom inside boxes with paraboloidal walls, with the nucleus at the common focus, is calculated variationally. The variational functions are products of geometry‐adapted hydrogenic functions, and the interelectronic Coulomb repulsion is represented through its harmonic expansion in parabolic coordinates. The energy, pressure, quadrupole moment, and polarizability of the atom are determined as functions of the positions of the walls for symmetrical boxes. © 1998 John Wiley & Sons, Inc. Int J Quant Chem 66 : 123–130, 1998