遇见数据集

Real space grids for def2-TZVP/def2-TZVP-RI basis sets resolution of the identity

收藏
NIAID Data Ecosystem2026-05-01 收录
数据链接:
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
二维码
社区交流群
二维码
科研交流群
商业服务