Third version of a program for calculating the static interaction potential between an electron and a diatomic molecule

Title of program: ONE CENTRE STATIC POTENTIAL
Catalogue Id: ACQW_v3_0 [ACZR]

Nature of problem
The program calculates one-centre expansions for the two-centre wave function of a diatomic molecule ...
CORRECTION SUMMARY:
Vol:Year:Page 41:1986:179
"000A CORRECTION 28/01/86"
"Errors in the three CPC versions of the program to calculate the
single centre expansion of the electron diatomic-molecule static
potential. (C.P.C. 20(1980)267)."
L. Malegat; M. Le Dourneuf; V.K. Lan

ADAPTATION SUMMARY:
Vol:Year:Page 41:1986:179
"0001 PARAMETRIZED DIMENSIONS"
"Errors in the three CPC versions of the program to calculate the
single centre expansion of the electron diatomic-molecule static
potential."
L. Malegat; M. Le Dourneuf; V.K. Lan

Note: adaptation instructions are contained in source code

Note: correction instructions are contained in source code

Versions of this program held in the CPC repository in Mendeley Data
ACQW_v1_0; STATIC INTERACTION POTENTIAL; 10.1016/0010-4655(71)90002-6
ACQW_v2_0; OCEP W.F. AND STATIC POTENTIAL; 10.1016/0010-4655(76)90055-2
ACQW_v3_0; ONE CENTRE STATIC POTENTIAL; 10.1016/0010-4655(80)90006-5

This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)

程序名称：单中心静电位

目录编号：ACQW_v3_0 [ACZR]

问题性质
本程序用于计算双原子分子双中心波函数的单中心展开...

修正摘要：
卷：年：页码 41:1986:179
“000A 修正 28/01/86”
“程序计算电子双原子分子静电势单中心展开的三个 CPC 版本中存在的错误。（C.P.C. 20(1980)267）。”
L. Malegat；M. Le Dourneuf；V.K. Lan

改编摘要：
卷：年：页码 41:1986:179
“0001 参数化维度”
“程序计算电子双原子分子静电势单中心展开的三个 CPC 版本中存在的错误。”
L. Malegat；M. Le Dourneuf；V.K. Lan

备注：改编说明包含在源代码中

备注：修正说明包含在源代码中

本程序所持有的版本存储在 CPC 程序库中，位于贝尔法斯特女王大学（1969-2019）

版本信息：
ACQW_v1_0；静电力相互作用；10.1016/0010-4655(71)90002-6
ACQW_v2_0；OCEP W.F. 及静电位；10.1016/0010-4655(76)90055-2
ACQW_v3_0；单中心静电位；10.1016/0010-4655(80)90006-5

该程序已从贝尔法斯特女王大学（1969-2019）所持有的 CPC 程序库中导入。