TESTING MOLECULAR-POTENTIAL FUNCTIONS WITH BIFURCATION DIAGRAMS OF PERIODIC-ORBITS

被引：5
|
作者：
FARANTOS, SC [1 ]
ZACHILAS, L [1 ]
机构：
[1] FORTH, RES CTR CRETE, INST ELECTR STRUCT & LASER, GR-71110 IRAKLION, GREECE
来源：
MOLECULAR PHYSICS | 1993年 / 80卷 / 06期
关键词：
D O I：
10.1080/00268979300103171
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
An evaluation of the performance of a molecular potential energy function in dynamical calculations can be obtained by constructing bifurcation diagrams of periodic orbits. This is demonstrated for the HCN molecule by using two analytical potential functions which give a global and a local representation of the surface respectively.
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页码：1499 / 1505
页数：7
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