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yambo: An ab initio tool for excited state calculations

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DataCite Commons2025-05-01 更新2025-05-17 收录
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This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract yambo is an ab initio code for calculating quasiparticle energies and optical properties of electronic systems within the framework of many-body perturbation theory and time-dependent density functional theory. Quasiparticle energies are calculated within the GW approximation for the self-energy. Optical properties are evaluated either by solving the Bethe–Salpeter equation or by using the adiabatic local density approximation. yambo is a plane-wave code that, although particularly suited for... Title of program: yambo Catalogue Id: AEDH_v1_0 Nature of problem Calculation of excited state properties (quasiparticles, excitons, plasmons) from first principles. Versions of this program held in the CPC repository in Mendeley Data AEDH_v1_0; yambo; 10.1016/j.cpc.2009.02.003

本程序源自贝尔法斯特女王大学(Queen's University Belfast)馆藏的CPC程序库(CPC Program Library,1969-2018) 摘要 yambo是一款从头算(ab initio)代码,用于在多体微扰理论(many-body perturbation theory)与含时密度泛函理论(time-dependent density functional theory)框架下计算电子系统的准粒子能量及光学性质。准粒子能量通过自能的GW近似(GW approximation)求解;光学性质则可通过贝塞耳-萨尔皮特方程(Bethe–Salpeter equation)的求解或绝热局域密度近似(adiabatic local density approximation)的应用进行评估。yambo是一款平面波代码,尽管特别适用于…… 程序名称:yambo 目录编号:AEDH_v1_0 问题性质:基于第一性原理计算激发态性质(准粒子、激子、等离激元) 本程序在Mendeley Data的CPC存储库中收录的版本:AEDH_v1_0;yambo;10.1016/j.cpc.2009.02.003
提供机构:
Mendeley
创建时间:
2019-03-14
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