Data for "Shape and Energy Consistent Pseudopotentials for Correlated Electron systems"
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下载链接：
https://www.repository.cam.ac.uk/handle/1810/266101
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资源简介：
Code and data for the generation and testing of pseudopotentials accurate for use in abinitio correlated electron calculations. Generated pseudopotentials are included, together with the results of accuracy tests for a set of small molecules using both coupled-cluster and density functional theory.
提供机构：
Apollo - University of Cambridge Repository
创建时间：
2017-08-08
