【摘要】 自从密度泛函理论建立以来 ,它已经广泛、成功地应用于原子、分子、晶体等各个方面 ,然而严格的能量泛函至今还没有建立 ,因此界限研究就成为一种非常重要的研究方法 ,通过对密度泛函理论中的界限研究为寻找近似泛函和严格的泛函指明方向。近年来 ,密度泛函理论中的界限研究在国际上非常活跃 ,文章对当今国际国内密度泛函理论中的界限研究的现状、所取得的重要进展作简要的综述。更多还原

【Abstract】 Since the Density Functional Theory put forth in 1964 ,it has been widely and successfully employed to atoms, molecules, solids, etc. However the exact forms of energy functional have not been known so far. So studies on the bounds to the density functionals are very interesting and important ways in the Density functional theory,they may help us to establish the approximate and rigorous forms of energy functional. Resently, The studies on the bounds are very actively in the world. In this paper, we tentatively discuss the present situation, progress in the studies on the bounds for density functional in DFT.更多还原