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FCFRKR — A procedure to evaluate Franck-Condon type integrals for diatomic molecules

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Mendeley Data2023-02-23 更新2024-06-26 收录
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https://data.mendeley.com/datasets/khx924fp4r
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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
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