遇见数据集

Automated Multireference Vertical Excitations for Transition Metal Compounds

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Zenodo2024-12-24 更新2026-05-26 收录
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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:
Zenodo
创建时间:
2024-12-24
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