In this paper, we calculate the stable configuration of the bipolaron with PPP method, and gain a good result.
本文用量子化学的PPP法讨论了双极化子的稳定构型，得到了较好的结果。
The inversed polarization will disappear under a strong electric field and the single excited state of a polaron will dissociate into a polaron and a bipolaron.
在强电场下，反向极化消失，极化子单激发态解离为一个单极化子和一个双极化子态。
A bipolaron microscopic model is proposed in this paper to interpret theoretically the Raman scattering data in cis-polyacetylene on the basis of lattice relaxation theory.
本文建议以双极化子微观模型，根据多声子晶格弛豫理论解释顺式聚乙炔的喇曼谱。
We have used the perturbation theory to calculate the energy bands of the bipolaron and the free-polaron, in order to investigate the stabilities of the singlet and the triplet bipolaron states.
应用微扰理论计算了双极化子和自由极化子的能带，以能带结构讨论了单重态和三重态双极化子的稳定性。
We have used the perturbation theory to calculate the energy bands of the bipolaron and the free-polaron, in order to investigate the stabilities of the singlet and the triplet bipolaron states.
应用微扰理论计算了双极化子和自由极化子的能带，以能带结构讨论了单重态和三重态双极化子的稳定性。
应用推荐