Natural Densitals

Name: Natural Densitals
Creator: Physical Sciences
Published: 2025-03-05T10:09:01+08:00

RepOD Repository for Open Data2025-03-05 更新2026-07-23 收录

数据链接：

https://repod.icm.edu.pl/dataset.xhtml?persistentId=doi:10.18150/GQNCBY 数据链接链接失效反馈

官方服务：

资源简介：

Ciosłowski, Jerzy, 2025, "Natural Densitals", https://doi.org/10.18150/GQNCBY, RepOD, V1

提供机构：

Physical Sciences

创建时间：

2025-03-05

Constraints upon Functionals of the 1-Matrix, Universal Properties of Natural Orbitals, and the Fallacy of the Collins "Conjecture"

1-矩阵泛函约束

自然轨道性质

Ciosłowski, Jerzy, 2025, "Constraints upon Functionals of the 1-Matrix, Universal Properties of Natural Orbitals, and the Fallacy of the Collins "Conjecture"", https://doi.org/10.18150/JRRKTJ, RepOD,

RepOD Repository for Open Data2025-03-05 更新20

Reconstruction of the On-Top Two-Electron Density from Natural Orbitals and Their Occupation Numbers

量子化学双电子密度重建

自然轨道占据数分析

Ciosłowski, Jerzy, 2026, "Reconstruction of the On-Top Two-Electron Density from Natural Orbitals and Their Occupation Numbers", https://doi.org/10.18150/DO1LOG, RepOD, V1

RepOD Repository for Open Data2026-02-20 更新20

Drachmanization revisited

Ciosłowski, Jerzy, 2026, "Drachmanization revisited", https://doi.org/10.18150/AKKTFJ, RepOD, V1

RepOD Repository for Open Data2026-02-20 更新10

Accuracies of the One-Electron and On-Top Two-Electron Densities Obtained with the Full Configuration-Interaction Employing Commonly Used Basis Sets

计算化学电子密度精度

全组态相互作用

Prątnicki, Filip, 2026, "Accuracies of the One-Electron and On-Top Two-Electron Densities Obtained with the Full Configuration-Interaction Employing Commonly Used Basis Sets", https://doi.org/10.18150

RepOD Repository for Open Data2026-02-20 更新20

Plain Capping for Improved Accuracy of Approximate One- and Two-Electron Densities at Two-Particle Coalescence Points

电子密度近似

量子化学方法

Ciosłowski, Jerzy, 2025, "Plain Capping for Improved Accuracy of Approximate One- and Two-Electron Densities at Two-Particle Coalescence Points", https://doi.org/10.18150/ZXYNCE, RepOD, V1

RepOD Repository for Open Data2025-03-05 更新10

Natural Densitals

资源简介：

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