首页 | 本学科首页   官方微博 | 高级检索  
     


Influence de la Structure de Diverses Fonctions sur l'Evaluation de l'Energie de Correlation
Authors:Alain Pellegatti Et Andr   Julg
Affiliation:Alain Pellegatti Et André Julg
Abstract:The influence of various correlation functions, multiplying the monoelectronic space function, is studied and applied to the Helium atom and its isoelectronic series. We used Slater-type basis orbitals and the ground and first excited states have been studied, taking into account the virial and cusp conditions. In the ground state, a very good value for the correlation energy is obtained, using a function of the type equation image For the excited states, this type of function overestimates the assumed value of the correlation energy.
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