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Density-functional formula for strongly correlated systems
Density functional method is applied for strongly correlated systems. Based on the assumption that the systems are composed of electrons in singly-occupied orbitals and those in doubly-occupied orbitals, a set of self-consistent equations are obtained by standard variation procedure. The equations consist of two parts. One part is to solve the wave functions of the electrons in singly-occupied orbitals and the other is to solve the wave functions of the electrons in doubly-occupied orbitals. The physical meanings of the terms appearing in the equations are discussed.
作 者： WANG Huaiyu HAN Rushan CHEN Nanxian 作者单位： WANG Huaiyu,CHEN Nanxian(Department of Physics, Tsinghua University, Beijing 100084, China)HAN Rushan(Department of Physics, Peking University, Beijing 100871, China)
刊 名： 自然科学进展（英文版） SCI 英文刊名： PROGRESS IN NATURAL SCIENCE 年，卷(期)： 2005 15(5) 分类号： N94 关键词： density-functional theory strongly correlated systems doubly-occupied orbital two-particie wave function self-consistent equations【Density-functional formula for stron】相关文章：