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Acta Physica Sinica

Surveying ultracold atom-atom binary collisions by utilizing renormalized Numerov method

中国科学院大连化学物理研究所,, 大连职业技术学院,

Published Jan 1, 2021• 0 citations
Publisher

Abstract

采用重归一化Numerov算法求解关于超低温双原子碰撞问题的非含时薛定谔方程组。以39K-133Cs碰撞为例,研究了超低温下双原子Feshbach共振的性质。结果表明,重归一化Numerov算法可以很精确地描述超冷条件下碰撞过程。和改进的logarithmic derivative算法相比,同等参数条件下,重归一化Numerov方法在计算效率上虽然有一定劣势,但在大格点步长参数范围内有着更好的稳定性。提出重归一化Numerov和logarithmic derivative算法相结合的传播方法,在保证结果精度的同时大大减少了计算时间。此项算法也可以应用于求解任意温度下的两体碰撞耦合薛定谔方程组。

DOI
10.7498/aps.70.20211308

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采用重归一化Numerov算法求解关于超低温双原子碰撞问题的非含时薛定谔方程组。以39K-133Cs碰撞为例,研究了超低温下双原子Feshbach共振的性质。结果表明,重归一化Numerov算法可以很精确地描述超冷条件下碰撞过程。和改进的logarithmic derivative算法相比,同等参数条件下,重归一化Numerov方法在计算效率上虽然有一定劣势,但在大格点步长参数范围内有着更好的稳定性。提出重归一化Numerov和logarithmic derivative算法相结合的传播方法,在保证结果精度的同时大大减少了计算时间。此项算法也可以应用于求解任意温度下的两体碰撞耦合薛定谔方程组。
为在处于汗衫状态的 ultracold Na 和 K 原子之间的碰撞的有弹性的散布性质被调查。基于最近的理论、试验性的结果,改进混合潜力为 NaK 的汗衫 X1 g+ 地面状态被介绍。借助于 Numerov 和半古典作品方法,散布长度的 s 波浪的价值一因为汗衫状态是打算的分别地是 33.3757a0 和 37.9399a0。显著形状回声为 l = 出现为 X1 g+ 状态的 1 个部分波浪。另外,为 X1 g+ 状态散布生气的节,全部的生气的节和形状回声的精力位置的 s 波浪被讨论。
The renormalized Numerov algorithm is applied to solving time-independent Schrödinger equation relating to atom-atom collisions at ultralow temperature. The proprieties of Feshbach resonance in 39K-133Cs collisions are investigated as an example. The results show that the renormalized Numerov method can give excellent results for ultracold colliding process. In contrast to improved log derivative method, the renormalized Numerov method displays a certain weakness in computational efficiency under the same condition. However, it is much stable in a wide range of grid step size. Hence a new propagating method is proposed by combining renormalized Numerov and logarithmic derivative method which can save computational time with a better accuracy. This algorithm can be used to solve close-coupling Schrödinger equation at arbitrary temperature for two-body collisions.
We introduce a hyperspherical coordinate mapping procedure to the slow variable discretization-enhanced renormalized Numerov method that allows for more accurate and cost-effective calculations of cold and ultracold atom-dimer scattering. The mapping procedure allows optimization of the numerical grid point spacing by adjusting to the shape of the interaction potential. We show results for elastic scattering in HeH2 and compare the results to previous MOLSCAT calculations by Forrey et al. [ Phys. Rev. A 1999, 59, 2146 ].