论文标题

两个氢原子之间的范德华相互作用:接下来的订单

Van der Waals interactions between two hydrogen atoms: The next orders

论文作者

Cancès, Éric, Coyaud, Rafaël, Scott, L. Ridgway

论文摘要

我们扩展了一种方法(E.Cancès和L.R. Scott,Siam J.Math。Anal。,50,2018,381--410),以计算两个氢原子之间范德华吸引力的渐近扩张中的更多术语。这些术语是通过求解一组修改的Slater-Kirkwood部分微分方程来获得的。该方法的准确性通过数值模拟和与文献的其他方法进行比较来证明。还表明,氢原子的散射状态,即与汉密尔顿的连续光谱相关的状态,对范德华膨胀的c $ _6 $系数具有重大贡献。

We extend a method (E. Cancès and L.R. Scott, SIAM J. Math. Anal., 50, 2018, 381--410) to compute more terms in the asymptotic expansion of the van der Waals attraction between two hydrogen atoms. These terms are obtained by solving a set of modified Slater-Kirkwood partial differential equations. The accuracy of the method is demonstrated by numerical simulations and comparison with other methods from the literature. It is also shown that the scattering states of the hydrogen atom, that are the states associated with the continuous spectrum of the Hamiltonian, have a major contribution to the C$_6$ coefficient of the van der Waals expansion.

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