ISSN:
0020-7608
Schlagwort(e):
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Quelle:
Wiley InterScience Backfile Collection 1832-2000
Thema:
Chemie und Pharmazie
Notizen:
Variational calculations for the lowest-energy states of the hydrogen atom confined in (A) semi-infinite spaces with paraboloidal boundaries, (B) symmetrical boxes with paraboloidal surfaces, and (C) prolate spheroidal boxes were performed with geometry-adapted trial wave functions. Comparisons of variational energies with the exact energies available for the respective geometries provide indications on the reliability of the trial wave functions. This is a necessary and preliminary step to investigate atoms with several electrons in the corresponding confining geometries. © 1995 John Wiley & Sons, Inc.
Zusätzliches Material:
3 Ill.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1002/qua.560540103
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