Supplementary Material: A novel coupled-cluster singles and doubles implementation that combines the exploitation of point-group symmetry and Cholesky decomposition of the two-electron integrals
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https://zenodo.org/record/8314405
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资源简介：
This dataset contains all molecular geometries (in Angstrom) used to test the CD-CCSD implementation.
创建时间：
2023-09-05
