Application of Effective Electron-Electron Interactions to Metal Clusters

有效电子-电子相互作用在金属团簇中的应用

基本信息

批准号：
09640372
负责人：
TAKAYANAGI Kazuo
金额：
$ 1.66万
依托单位：
Sophia University
依托单位国家：
日本
项目类别：
Grant-in-Aid for Scientific Research (C)
财政年份：
1997
资助国家：
日本
起止时间：
1997 至 1999
项目状态：
已结题

来源：
https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-09640372/
关键词：
Effective Interactions Metal Cluster Short Range Correlations

项目摘要

In this research project, we have succeeded firstly in developing an effective electron-electron, and secondly in examining many response functions using the effective interactions.Our effective interactions feature the short range correlations in the medium which are expressed by multiple scattering processes. Such processes are well formulated in terms of the Bethe-Goldstone (BG) equation. We have applied firstly the separable approximation, and secondly the density matrix expansion to the numerical solutions to the BG equations, to obtain the Skyrme type effective interactions. The resultant interactions have proven to have strong nonlocality, and consequently the p-wave interaction is important. We have carried out the above program also for spin-polarized systems to obain spin-dependent electron-electron interactions. These effective interactions are expressed as functions of the density(r_s) and the polarization (ζ) so that our interactions can be applied to various calculations.We have investigated the static response (compressibility and spin susceptibility) of several systems. Especially in two-dimensional systems, our calculations agree very well with the quantum Monte Carlo results, to show that our effective interactions express very well the short range correlations between electrons.We believe that our approach to electronic systems has proven successful, and also has shown that it can be applied to many other fields.

在该研究项目中，我们首先成功地开发了有效的电子电子，其次是使用有效的相互作用来检查许多响应函数。我们的有效相互作用具有由多个散射过程表达的介质中的短距离相关性。这种过程是根据伯特 - 金石（BG）方程式很好地制定的。我们首先应用了单独的近似值，其次将密度矩阵扩展到BG方程的数值解中，以获得Skyrme型有效相互作用。结果证明，结果相互作用具有很强的非局部性，因此P波相互作用很重要。我们还为自旋偏振系统执行了上述程序，以遵守自旋依赖性电子电子相互作用。这些有效的相互作用表示为密度（R_S）和极化（ζ）的函数，因此我们的相互作用可以应用于各种计算。我们研究了几种系统的静态响应（可压缩性和自旋敏感性）。尤其是在二维系统中，我们的计算与量子蒙特卡洛结果非常吻合，以表明我们的有效相互作用很好地表达了电子产品之间的短距离相关性。我们相信我们的电子系统方法已证明是成功的，并且还表明它可以应用于许多其他领域。