Data Set For Efficient Calculation of Dispersion Energy for Multireference Systems with Cholesky Decomposition. Application to Excited-state Interactions

Name: Data Set For Efficient Calculation of Dispersion Energy for Multireference Systems with Cholesky Decomposition. Application to Excited-state Interactions
Creator: University of Warsaw; Lodz University of Technology
Published: 2023-07-10T00:00:00+08:00

Zenodo2023-07-10 更新2026-04-07 收录

量子化学计算

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数据链接：

https://zenodo.org/record/8131534 数据链接链接失效反馈

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资源简介：

Data Set to Accompany: "Efficient Calculation of Dispersion Energy for Multireference Systems with Cholesky Decomposition. Application to Excited-state Interactions"

提供机构：

University of Warsaw; Lodz University of Technology

创建时间：

2023-07-10