five

Supporting information for "Parquet theory for molecular systems: Formalism and static kernel parquet approximation"

收藏
DataCite Commons2025-11-21 更新2026-01-12 收录
下载链接:
https://aip.figshare.com/articles/dataset/Supporting_information_for_Parquet_theory_for_molecular_systems_Formalism_and_static_kernel_parquet_approximation_/30490883
下载链接
链接失效反馈
官方服务:
资源简介:
This document contains the detailed derivations of the equations reported in the associated main manuscript, where missing notations can be found. The first three sections set the stage for the parquet formalism that is discussed in the remaining sections. Section I defines the time and Fourier transform conventions that are used in this work. The electron-hole (eh) and the particle-particle (pp) Bethe-Salpeter equations (BSEs) are presented in detail in Secs. II and III, respectively. In particular, these include their transformation to frequency space, their solution in a basis of spin-orbitals, as well as their spin adaptation. The presentation of parquet formalism starts with the Fourier transform of all its equations performed in Sec. IV. These equations are then projected in a basis of spin orbitals in Sec. V. Finally, Sec. VI reports the spin-adapted parquet equations.
提供机构:
AIP Publishing
创建时间:
2025-10-30
5,000+
优质数据集
54 个
任务类型
进入经典数据集
二维码
社区交流群

面向社区/商业的数据集话题

二维码
科研交流群

面向高校/科研机构的开源数据集话题

数据驱动未来

携手共赢发展

商业合作