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提出了一种动力学李代数方法来研究取代苯体系的非线性光学性质. 对于给定的PPP模型(Pariser-Parr-Pople)哈密顿量, 生成了一个动力学李代数. 依据这些代数元构造出演化算子作为群参数的函数, 通过求解一组非线性微分方程能够得到这些群参数. 再按照统计力学中的密度算子公式给出取代苯分子体系偶极矩的统计平均值. 于是导出二阶极化率的表达式. 与其他量子力学计算结果比较, 表明这种动力学李代数方法在预言有机共轭分子的非线性光学性质上同样有用. 相似文献
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A dynamical Lie algebraic method has been applied to treating the quantum dynamics of dissociative adsorption of H_2 on a static flat metal surface. An LEPS potential energy surface has been used to describe the interaction of H_2 with Ni(100) surface. The dependence of the initial state-selected dissociation probability was obtained analytically on the initial kinetic energy and time. A comparison with other theoretical calculations and experiments is made. The results show that the method can be effectively used to describe the dynamics of reactive gas-surface scattering. 相似文献
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In this paper, the Lotka's model in closed system has been discussed in detail. Considering the consumption of reaction reagent, this model is analysed in accordance with the first order harmonic wave approximation and digital calculated by using the microcomputer.For the various initial conditions (according to, approaching, deviating from and deviating far from the Lotka's steady-state condition) the corresponding chemical oscillation behaviours are studied. The rules in connection with the time dependence of corresponding concentrations and the reaction trajectories in the relative component concentration phase space are obtained. The effectual regions in regard to the first order harmonic wave are examined. The relative results may be used to explain some important chemical oscillation phenomena, such as the sustained, damped and exploded oscillations. 相似文献
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