Farm — A flexible asymptotic R-matrix package
收藏Mendeley Data2023-02-23 更新2024-06-26 收录
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Abstract
The R-matrix formalism has been highly successful in describing a wide range of atomic and molecular scattering problems. A computational bottleneck in these calculations is the treatment of the scattering in the external region of configuration space where exchange effects may be neglected. A new package for solving this external region scattering problem is described. The package uses a combination of R-matrix propagation techniques to ensure optimum stability and efficiency in integrating ...
Title of program: FARM
Catalogue Id: ADAZ_v1_0
Nature of problem
The program solves the scattering problem in the asymptotic region of R-matrix theory where exchange is negligible.
Versions of this program held in the CPC repository in Mendeley Data
ADAZ_v1_0; FARM; 10.1016/0010-4655(94)00178-5
ADAZ_v1_1; FARM_2DRMP; 10.1016/j.cpc.2009.07.017
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
摘要
R矩阵(R-matrix)形式体系已被广泛且成功地应用于各类原子与分子散射问题的描述。此类计算的核心计算瓶颈之一,是对构型空间(configuration space)外区域的散射处理——该区域内交换效应可被忽略。本文介绍一款用于求解该外区域散射问题的新型计算程序包,该程序包结合采用R矩阵传播技术,以确保积分过程具备最优稳定性与计算效率……
程序名称:FARM
目录编号:ADAZ_v1_0
问题本质
本程序用于求解R矩阵理论中交换效应可忽略的渐近区域内的散射问题。
孟德莱数据(Mendeley Data)中《计算机物理学报》(Computer Physics Communications,简称CPC)程序库收录的本程序版本:
ADAZ_v1_0; FARM; 10.1016/0010-4655(94)00178-5
ADAZ_v1_1; FARM_2DRMP; 10.1016/j.cpc.2009.07.017
本程序源自贝尔法斯特女王大学馆藏的CPC程序库(1969-2018年)
创建时间:
2020-01-02



