尖点和贝塞尔振荡积分在化学物理中的应用
Numerical Evaluation of Cuspoid and Bessoid Oscillating Integrals for Applications in Chemical Physics
摘要：
振荡积分经常出现在化学物理现象的理论描述中，特别是在原子和分子碰撞以及光谱学中。本文介绍了一个计算振荡尖点正则积分及其一阶偏导数的计算机程序。该代码使用了一种新的自适应轮廓算法，该算法在复平面中选择轮廓，以避免被积函数的剧烈振荡和指数性质，并根据需要修改其选择。应用程序的燕尾规范积分和bessoid积分。
英文摘要：
Oscillating integrals often arise in the theoretical description of phenomena in chemical physics, in particular in atomic and molecular collisions, and in spectroscopy. A computer code for the numerical evaluation of the oscillatory cuspoid canonical integrals and their first-order partial derivatives is described. The code uses a novel adaptive contour algorithm, which chooses a contour in the complex plane that avoids the violent oscillatory and exponential natures of the integrand and modifies its choice as necessary. Applications are made to the swallowtail canonical integral and to a bessoid integral.
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