Further empirical testing of the suitability of a nonrandom integration method for classical trajectory calculations

Further empirical testing of the suitability of a nonrandom integration method for classical trajectory calculations
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DOI:
10.1063/1.435962
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发表时间:
1978-02
影响因子:
4.4
通讯作者:
H. Suzukawa;M. Wolfsberg
H. Suzukawa;M. Wolfsberg
中科院分区:
化学2区
文献类型:
--
作者:
H. Suzukawa;M. Wolfsberg

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将非随机逼近多维积分的方法与传统的蒙特卡罗方法进行了比较,以确定经典轨迹的平均能量传输值。研究了两个原子-双原子分子碰撞体系。误差估计表明,对于给定的轨迹数,非随机方法往往比蒙特卡罗方法更准确。
A nonrandom method of approximating multidimensional integrals is compared to the traditional Monte Carlo method in the determination of average energy transfer values from classical trajectories. Two atom–diatomic molecule collision systems are studied. Estimates of error show that, for a given number of trajectories, the nonrandom method tends to be more accurate than the Monte Carlo method.