Data-driven low-rank approximation for the electron-hole kernel and acceleration of time-dependent GW calculations

Abstract Many-body interactions are essential for understanding non-linear optics and ultrafast spectroscopy of materials. Recent first principles approaches based on nonequilibrium Green’s function formalisms, such as the time-dependent adiabatic GW (TD-aGW) approach, can predict nonequilibrium dyn...

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Bibliographic Details
Main Authors: Bowen Hou, Jinyuan Wu, Victor Chang Lee, Jiaxuan Guo, Luna Y. Liu, Diana Y. Qiu
Format: Article
Language:English
Published: Nature Portfolio 2025-07-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-025-01680-9
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