【摘要】 本文基于同一格点的电子相关和最近邻格点间的电荷相关及自旋相关,把局域方法的级数展开用于Hubbard模型。和通常的二阶计算不同,我们在计算中保留了<OOH>项。比较这两种不同计算方法所得到的结果,发现在U较大时,<OOH>项对顺磁相的相关能、基态能量、局域磁矩和由局域磁矩引起的反铁磁极化均有不可忽略的修正。要准确计及电子相关效应,还需通过作更高阶展开,以考察级数的收敛性。更多还原

【Abstract】 Based on the intraatomic electron correlation and the interatomic electron and spin correlation, the local approach has been used to the Hubbard model. The term〈OOH〉which was neglected in the general calculation is retained in our calculation. Camparing our results with those of the general calculation, we find that when U is large, the effects of the term〈OOH〉in the paramagnetic phase can not be heglected for calculating the correlation energy, the ground state energy, the local moments and the antiferromagnetic polarization around the local moments. To estimate more accurately the electron correlation effects, one has to calculate to higher orders and check he convergency of the series.更多还原