Data for "Electron dynamics in condensed phase systems using real-time time-dependent density functional theory"

Name: Data for "Electron dynamics in condensed phase systems using real-time time-dependent density functional theory"
Creator: Zenodo
Published: 2026-09-10T16:01:13+08:00

Zenodo2026-09-11 更新2026-10-01 收录

数据链接：

https://zenodo.org/doi/10.5281/zenodo.22693074 数据链接链接失效反馈

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资源简介：

XYZ/ contains the coordinates of all molecules studied PUMP/ contains the input/output files needed to generate a core-excitation (water) or a UV excitation (PNA) KICK/ contains the input/output files needed to perform a delta-kick to obtain an XAS (PNA) or XES (water) spectrum XAS-TDP/ contains the input/output files needed to perform an RTP starting from a core-excited wavefunction

提供机构：

Zenodo

创建时间：

2026-09-10

Data for "Electron dynamics in condensed phase systems using real-time time-dependent density functional theory"

资源简介：

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