Dataset: Implementation of relativistic coupled cluster theory for massively parallel GPU-accelerated computing architectures

Zenodo2021-03-09 更新2026-04-07 收录

相对论耦合簇理论

GPU加速量子化学计算

数据链接：

https://zenodo.org/record/4589357 数据链接链接失效反馈

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资源简介：

This dataset collects the outputs for the calculation discussed in the manuscript "Implementation of relativistic coupled cluster theory for massively parallel GPU-accelerated computing architectures".

提供机构：

Department of Physics, Chemistry and Pharmacy, University of Southern Denmark; epartment of Chemistry and Pharmaceutical Science, Faculty of Science, Vrije Universiteit Amsterdam; Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, UiT The Arctic University of Norway; National Center for Computational Sciences, Oak Ridge National Laboratory; Universite de Lille, CNRS, UMR 8523 - PhLAM - Physique des Lasers, Atomes et Molecules; epartment of Molecular Theory and Spectroscopy, Max-Planck-Institut fur Kohlenforschung

创建时间：

2021-03-09

Dataset: Implementation of relativistic coupled cluster theory for massively parallel GPU-accelerated computing architectures

资源简介：

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