yambo: An ab initio tool for excited state calculations

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（1969-2018年馆藏范围）。 摘要 yambo是一款从头算（ab initio）程序，可在多体微扰理论（many-body perturbation theory）与含时密度泛函理论（time-dependent density functional theory）框架下，计算电子体系的准粒子（quasiparticle）能量与光学性质。准粒子能量通过自能的GW近似（GW approximation）计算得到；光学性质则可通过求解贝特-萨尔皮特方程（Bethe–Salpeter equation）或采用绝热局域密度近似（adiabatic local density approximation）进行评估。yambo属于平面波（plane-wave）程序，尽管其尤其适配于…… 程序名称：yambo 编目编号：AEDH_v1_0 问题属性 从第一性原理（first principles）出发计算激发态性质（准粒子、激子、等离激元）。 门德列数据（Mendeley Data）中CPC库收录的本程序版本 AEDH_v1_0; yambo; 10.1016/j.cpc.2009.02.003