遇见数据集

Supplemental Online Material

收藏
Figshare2025-09-09 更新2026-04-28 收录
官方服务:

资源简介:

Double ionization potentials from all-electron versus frozen core DCB-X2C-DIP-EOMCCSD calculations, as well as double ionization potentials and excitation energies of doubly ionized species computed using 1eX2C- and DCB-X2C-DIP-EOMCCSD within the frozen core approximation.

创建时间:
2025-09-09
二维码
社区交流群
二维码
科研交流群
商业服务