首页 | 本学科首页   官方微博 | 高级检索  
     


Perturbational calculation of the exchange forces in the two lowest states of the hydrogen molecule
Authors:Lucjan Piela
Abstract:The interaction energies in the ground (X1Σurn:x-wiley:00207608:media:QUA560050106:tex2gif-stack-1) and the first excited (b3Σurn:x-wiley:00207608:media:QUA560050106:tex2gif-stack-2)states of the hydrogen molecule were calculated using the modified Jansen and Byers Brown perturbation method. Calculations were performed for nine values of the internuclear distance R in the range 5 a.u. ≦ R ≦ 9 a.u. The present results were compared with the interaction energies calculated by four other perturbation methods as the expectation values of the HE0 operator with the function accurate up to the first order. The results show that the method can give satisfactory values of the interaction energies.
Keywords:
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号