Structure and analytic potential energy function of N2O isomer
-
Published:2008
Issue:12
Volume:57
Page:7581
-
ISSN:1000-3290
-
Container-title:Acta Physica Sinica
-
language:
-
Short-container-title:Acta Phys. Sin.
Author:
Wu Dong-Lan ,Cheng Xin-Lu ,Yang Xiang-Dong ,Xie An-Dong ,Wang Hui-Jun
Abstract
The equilibrium geometry of N2O, NO and N2 molecules have been calculated on the computational levels of density functional theory. The Murrell-Sorbie analytic potential energy function of NO and N2 molecules have been derived through the least-square fitting to ab initio data. Similarly, the harmonic frequency has been calculated and the analytic potential energy function of linear molecule N2O isomer is derived by many-body expansion theory for the first time.
Publisher
Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences
Subject
General Physics and Astronomy
Cited by
1 articles.
订阅此论文施引文献
订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献