ISSN:
0020-7608
Keywords:
Model of atoms trapped inside solids
;
electronic structure
;
helium atom
;
pressure
;
quadrupole moment
;
polarizability of trapped atoms
;
Chemistry
;
Theoretical, Physical and Computational Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
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
Additional Material:
4 Ill.
Type of Medium:
Electronic Resource
