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在文献[1]给出的理论框架的基础上,由具有Feenberg-Jastrow关联因子的相关波函数,计算了“jellium”模型下简单金属的表面能和电子密度分布。表面电子密度分布由求解Cha-kravarty-Woo方程而得到。由于库伦关联的长程性,在表面能和CW积分方程中都出现一系列的发散项,本文证明了所有发散项严格互相抵消。本文求得的表面能在整个实际金属的电子密度范围内(rs=2—6)与实验值大致符合。Surface energies, density profiles and Gibbs surfaces are calculated over a wide range of electron densities in the "jellium" model on the basis of previous theoretical framework. The electron density distributions are obtained by solving the Chakravarty-Woo integral equations for inhomogeneous electron liquids. Because of the long range Coulomb interaction, a series of divergences appear in the integral equations and the energy expression, but they are proved to cancel exactly. Surface energies obtained are close to experimental data over the domain of density of metals.
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