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Shifts of the hydrogen atom in a cylindrical cavity
Author(s) -
Yurenev P. V.,
Scherbinin A. V.,
Pupyshev V. I.
Publication year - 2008
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.21787
Subject(s) - hydrogen atom , atomic physics , atomic orbital , perturbation (astronomy) , perturbation theory (quantum mechanics) , radius , physics , quantum mechanics , chemistry , computer security , computer science , group (periodic table) , electron
Abstract Hydrogen atom in a cylindrical cavity is the simplest model for describing electronic states of the atom encapsulated into the nanotube. In the present work, simple analytical estimates for the electronic energy change under longitudinal and transversal shifts of the nucleus are made, using the first‐order perturbation theory with the radius of the cavity as a perturbation parameter. Predicted signature of the electronic energy for the variety of atomic states agrees in essential details with the direct numerical estimations by finite difference and collocation procedures. © 2008 Wiley Periodicals, Inc. Int J Quantum Chem, 2008