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.

我们分析了双原子分子（X ^{2 +}和XY ⁺）带正电离子的动力学，其中键是由单个电子实现的。我们假设原子核被距离隔开$\mathrm{[R}$ 受到振幅为谐波类型的外部激励 $\mathrm{一种}$ 和频率 $\Omega$。我们在第二次量化的形式学中使用变分方法发现了离子的基态（Wannier函数是通过高斯轨道重现的）。发生这种情况的原因是，总能量高度依赖于$\mathrm{[R}$，核的混沌动力学引起电子哈密顿量参数（即电子轨道的能量）的混沌演化 $\epsilon$ 和跳跃积分 $Ť$）。阳离子质量或电荷排列的变化不会影响质子中Lyapunov指数的定性。$\mathrm{一种}$--$\Omega$ 参数空间。