Multistate molecular treatment of atomic collisions in the impact parameter approximation. IV
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Abstract
We propose a new version of the program PAMPA with increased efficacy for large systems of coupled equations. The organisation of the present version is better suited to vector processors. The method used to calculate the integrals over energy differences takes full advantage of the spline representation used for the energies, which increases its accuracy.
Title of program: SUPERPAMPA
Catalogue Id: ACWJ_v2_0 [ABTY]
Nature of problem
Multistate molecular treatment of atomic collisions in the impact parameter approximation. Calculation of the transition amplitudes for the straight line case.
Versions of this program held in the CPC repository in Mendeley Data
ACWJ_v1_0; PAMPA; 10.1016/0010-4655(75)90067-3
ACWJ_v2_0; SUPERPAMPA; 10.1016/0010-4655(91)90121-Z
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
摘要
本研究提出了程序PAMPA的新版本，针对耦合方程组大型系统提升了求解效能。该新版本的架构更适配向量处理器。针对能量差积分的计算方法充分利用了能量的样条（spline）表示形式，从而提升了计算精度。
程序名称：SUPERPAMPA
目录编号：ACWJ_v2_0 [ABTY]
问题本质
采用碰撞参数近似方法对原子碰撞开展多态分子处理，求解直线运动情形下的跃迁振幅。
存放在Mendeley Data的CPC程序库中的该程序版本：
ACWJ_v1_0; PAMPA; 10.1016/0010-4655(75)90067-3
ACWJ_v2_0; SUPERPAMPA; 10.1016/0010-4655(91)90121-Z
本程序源自贝尔法斯特女王大学托管的CPC程序库（1969-2019）
创建时间：
1991-01-01
