Dataset for the article "Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems"

Name: Dataset for the article "Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems"
Creator: Mikkelsen, Kurt V.; Olsen, Jógvan Magnus Haugaard; Cabral Tenorio, Bruno Nunes; Reine, Simen; Reinholdt, Peter; Rinkevicius, Zilvinas; Ruud, Kenneth; Sauer, Stephan P. A.; Norman, Patrick; Faber, Rasmus; Cukras, Janusz; Di Remigio, Roberto; Helgaker, Trygve; Bast, Radovan; Vahtras, Olav; Kongsted, Jacob; Pedersen, Thomas Bondo; Li, Xin; Hedegård, Erik D.; Ringholm, Magnus; Coriani, Sonia; Jensen, Hans Jørgen Aa.; Kjellgren, Erik; List, Nanna H.; Hjorth Dundas, Karen Oda
Published: 2020-03-13T00:00:00+08:00

Zenodo2020-03-13 更新2026-04-07 收录

分子建模

电子结构计算

数据链接：

https://zenodo.org/record/3710461 数据链接链接失效反馈

官方服务：

资源简介：

This dataset contains additional material related to the article "Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems". The article is available at https://doi.org/10.1063/1.5144298 (open access).<br> <br> Note that the current version of the dataset is not complete. The complete dataset will be uploaded as soon as possible.

提供机构：

Mikkelsen, Kurt V.; Olsen, Jógvan Magnus Haugaard; Cabral Tenorio, Bruno Nunes; Reine, Simen; Reinholdt, Peter; Rinkevicius, Zilvinas; Ruud, Kenneth; Sauer, Stephan P. A.; Norman, Patrick; Faber, Rasmus; Cukras, Janusz; Di Remigio, Roberto; Helgaker, Trygve; Bast, Radovan; Vahtras, Olav; Kongsted, Jacob; Pedersen, Thomas Bondo; Li, Xin; Hedegård, Erik D.; Ringholm, Magnus; Coriani, Sonia; Jensen, Hans Jørgen Aa.; Kjellgren, Erik; List, Nanna H.; Hjorth Dundas, Karen Oda

创建时间：

2020-03-13