five

An RPA program for jellium spheres

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doi.org2025-03-25 收录
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http://doi.org/10.17632/vs5js46yh9.1
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Abstract A FORTRAN 77 program is presented that calculates the electromagnetic response of small metal particles or atomic clusters. The program uses the random phase approximation and the local density approximation, and treats the clusters as jellium spheres. From the frequency-dependence response the polarizability, the plasmon resonance frequency, and the width of the resonance lines are directly extracted. Title of program: JELLYRPA Catalogue Id: ABTC_v1_0 Nature of problem The electromagnetic response of small metal particles and atomic clusters is an object of current experimental interest. The electric polarizability and the plasmon resonance are measured, among other properties. The quantum mechanical theory of the response in the many- electron system is still not fully developed, but the Random Phase Approximation (RPA) in the Local Density Approximation (LDA) is simple and accurate enough to serve as a theoretical baseline for more elaborate treatments. The ... Versions of this program held in the CPC repository in Mendeley Data ABTC_v1_0; JELLYRPA; 10.1016/0010-4655(90)90011-O This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)

本文提出了一种FORTRAN 77程序,该程序用于计算小型金属颗粒或原子簇的电磁响应。该程序采用随机相位近似(RPA)和局部密度近似(LDA),并将簇体视为胶体球。通过频率依赖性响应,可直接提取极化率、等离子体共振频率以及共振线的宽度。 程序名称:JELLYRPA 目录编号:ABTC_v1_0 问题性质:小型金属颗粒和原子簇的电磁响应是当前实验研究的热点。除了其他特性之外,电极化率和等离子体共振已被测量。多电子系统的量子力学响应理论尚未完全发展,但随机相位近似(RPA)在局部密度近似(LDA)下的处理既简单又准确,足以作为更复杂处理的理论基准。 Mendeley数据中CPC存储库中保存的该程序版本:ABTC_v1_0; JELLYRPA; 10.1016/0010-4655(90)90011-O 此程序已从贝尔法斯特女王大学(1969-2018)所持有的CPC程序库中导入。
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