推荐文档列表

Density-functional formula for stron

时间:2021-12-13 17:09:17 自然科学论文 我要投稿

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