Real space grids for def2-TZVP/def2-TZVP-RI basis sets resolution of the identity
收藏NIAID Data Ecosystem2026-05-01 收录
下载链接：
https://zenodo.org/record/10277630
下载链接
链接失效反馈官方服务：
资源简介：
Real space grids (in Bohr) for def2-TZVP/def2-TZVP-RI basis sets resolution of the identity, as per described in the following works:
1) "Separable resolution-of-the-identity with all-electron Gaussian bases: Application to cubic-scaling RPA", J. Chem. Phys. 150, 174120 (2019); https://doi.org/10.1063/1.5090605.
2) "Cubic-scaling all-electron GW calculations with a separable density-fitting space-time approach", J. Chem. Theory Comput. 2021, 17, 2383−2393; https://doi.org/10.1021/acs.jctc.1c00101.
创建时间：
2023-12-06
