Automated Multireference Vertical Excitations for Transition Metal Compounds

Name: Automated Multireference Vertical Excitations for Transition Metal Compounds
Creator: University of Chicago; University of California, Berkeley
Published: 2024-12-09T00:00:00+08:00

Zenodo2024-12-09 更新2026-04-07 收录

量子模拟

金属配合物激发态

数据链接：

https://zenodo.org/doi/10.5281/zenodo.14343116 数据链接链接失效反馈

官方服务：

资源简介：

Data needed to reproduce the work in "Automated Multireference Vertical Excitations for Transition Metals." This includes converged orbitals, CI vectors, and energies.

提供机构：

University of Chicago; University of California, Berkeley

创建时间：

2024-12-09