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Variational calculations for the hydrogen atom confined in spaces with paraboloidal and spheroidal boundaries
Author(s) -
Cruz S. A.,
LeyKoo E.,
Marín J. L.,
TaylorArmitage A.
Publication year - 1995
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.560540103
Subject(s) - wave function , hydrogen atom , variational method , atom (system on chip) , physics , prolate spheroid , electron , prolate spheroidal coordinates , atomic physics , hydrogen , geometry , quantum mechanics , classical mechanics , mathematics , group (periodic table) , computer science , embedded system
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.