手性分子的扭曲弧模型
The twisted arc model for chiral molecules
摘要：
我们提出了一个简单的模型，手性分子产生的频率依赖的多极-多极极化率计算所需的色散范德华常数在一个简单的，封闭的，和一致的形式。该模型由一个单一的有效电荷限制在一个一维线形成的两个圆弧，这是扭曲相对于彼此的角度表征的手征。由此产生的极化率显示了一个简单的函数依赖于模型参数，它们用于模仿小分子，如H2 S2，在一个合理的现实的方式的手性性质。
英文摘要：
We present a simple model for chiral molecules which yields the frequency-dependent multipole-multipole polarizabilities required for calculating the dispersive van der Waals constants in a simple, closed, and consistent form. The model consists of a single effective charge confined to a one-dimensional wire formed by two circular arcs, which are twisted with respect to each other by an angle characterizing the chirality. The resulting polarizabilities show a simple functional dependence on the model parameters, and they serve to mimic the chiral properties of small molecules, such as H2S2, in a reasonably realistic way.
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