PHYSICA D-NONLINEAR PHENOMENA | 卷:423 |
Chaotic evolution of the energy of the electron orbital and the hopping integral in diatomic molecule cations subjected to harmonic excitation | |
Article | |
Domagalska, I. A.1  Jarosik, M. W.2  Durajski, A. P.2  Kalaga, J. K.1,3  Szczesniak, R.2,4  | |
[1] Univ Zielona Gora, Inst Phys, Quantum Opt & Engn Div, Prof Z Szafrana 4a, PL-65516 Zielona Gora, Poland | |
[2] Czestochowa Tech Univ, Div Phys, Ave Armii Krajowej 19, PL-42200 Czestochowa, Poland | |
[3] Palacky Univ, Joint Lab Opt Palacky Univ & Inst Phys CAS, Fac Sci, 17 Listopadu 12, Olomouc 77146, Czech Republic | |
[4] Jan Dlugosz Univ Czestochowa, Div Theoret Phys, Ave Armii Krajowej 13-15, PL-42200 Czestochowa, Poland | |
关键词: Diatomic cations; Harmonic excitation; Chaotic dynamics of the electronic parameters; | |
DOI : 10.1016/j.physd.2021.132929 | |
来源: Elsevier | |
【 摘 要 】
We analysed the dynamics of the positively charged ions of diatomic molecules (X2+ and XY+), in which the bond is realized by the single electron. We assumed that the atomic cores separated by the distance R were subjected to the external excitation of the harmonic type with the amplitude A and frequency Omega. We found the ground states of ions using the variational approach within the formalism of second quantization (the Wannier function was reproduced by means of Gaussian orbitals). It occurred that, on the account of the highly non-linear dependence of the total energy on R, the chaotic dynamics of cores induced the chaotic evolution of the electronic Hamiltonian parameters (i.e. the energy of the electron orbital epsilon and the hopping integral t). Changes in cation masses or in the charge arrangement does not affect qualitatively the values of Lyapunov exponents in the A-Omega parameter space. (C) 2021 Elsevier B.V. All rights reserved.
【 授权许可】
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