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Energy states, oscillator strengths and polarizabilities of many electron atoms confined by an impenetrable spherical cavity
  • yusuf yakar,
  • Bekir Çakır,
  • Ayhan Özmen
yusuf yakar
arts and sciences faculty
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Bekir Çakır
Selcuk University
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Ayhan Özmen
Selcuk Universitesi Fen Fakultesi
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Abstract

Abstract: The orbital, ground and excited state energies of many electron atoms confined by an impenetrable spherical cavity with radius R are calculated using Quantum Genetic Algorithm (QGA) approach and Hartree-Fock Roothaan (HFR) theory. The important properties such as static and dynamic polarizability, oscillator strength and static pressure are investigated as perturbative. The results reveal that cavity radius and impurity charge have played an important role on the polarizability, the oscillator strength and pressure of the system. In addition, it is seen that when cavity radius is extremely large, all energies and the other physical parameters approach the energies and physical parameters of unconfined atom. As the dot radius decreases, the polarizability of system because of the strong spatial confinement decreases, but the pressure exerting on the system as the cavity radius R is shrunk increases. In addition, as the impurity charge increases, the magnitude of the oscillator strength decreases. Keywords: Orbital energy, static and dynamic polarizability, oscillator strength, pressure, many electron quantum dots.

Peer review status:Published

10 Sep 2020Submitted to International Journal of Quantum Chemistry
11 Sep 2020Submission Checks Completed
11 Sep 2020Assigned to Editor
18 Sep 2020Reviewer(s) Assigned
02 Oct 2020Review(s) Completed, Editorial Evaluation Pending
14 Oct 2020Editorial Decision: Revise Major
11 Dec 20201st Revision Received
12 Dec 2020Assigned to Editor
12 Dec 2020Submission Checks Completed
18 Dec 2020Reviewer(s) Assigned
30 Dec 2020Review(s) Completed, Editorial Evaluation Pending
25 Jan 2021Editorial Decision: Revise Major
17 Feb 20212nd Revision Received
19 Feb 2021Submission Checks Completed
19 Feb 2021Assigned to Editor
19 Feb 2021Reviewer(s) Assigned
25 Feb 2021Review(s) Completed, Editorial Evaluation Pending
25 Feb 2021Editorial Decision: Accept
16 Mar 2021Published in International Journal of Quantum Chemistry. 10.1002/qua.26658