FCFRKR — A procedure to evaluate Franck-Condon type integrals for diatomic molecules
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资源简介:
Title of program: FCFRKR
Catalogue Id: AAOR_v1_0
Nature of problem
This program package is concerned with the construction of RKR potentials and the solution of the Schrodinger equation for the nuclear motion ofdiatomic molecules (vibrational-rotational wave functions). ...
ADAPTATION SUMMARY:
Vol:Year:Page 36:1985:109
"0001 FCFRKR*ADAPT1"
"Comments on the program FCFRKR."
H.H. Telle; U. Telle
ADAPTATION SUMMARY:
Vol:Year:Page 36:1985:109
"0002 FCFRKR*LEVEL2CDC"
"Comments on the program FCFRKR."
H.H. Telle; U. Telle
Note: adaptation instructions are contained in source code
Versions of this program held in the CPC repository in Mendeley Data
AAOR_v1_0; FCFRKR; 10.1016/0010-4655(82)90059-5
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
程序标题:FCFRKR
目录编号:AAOR_v1_0
问题性质
本程序包用于构建RKR势能,并求解双原子分子核运动的薛定谔方程(振动-转动波函数)……
适配摘要:
卷:年份:页码 36:1985:109
"0001 FCFRKR*ADAPT1"
"FCFRKR程序评述"
H.H.特尔勒;U.特尔勒
适配摘要:
卷:年份:页码 36:1985:109
"0002 FCFRKR*LEVEL2CDC"
"FCFRKR程序评述"
H.H.特尔勒;U.特尔勒
注:适配说明包含于源代码中
该程序在曼德莱数据(Mendeley Data)的CPC知识库中的版本为:AAOR_v1_0; FCFRKR; 10.1016/0010-4655(82)90059-5
本程序源自贝尔法斯特女王大学馆藏的CPC程序库(1969-2019年)
创建时间:
2019-12-18



