Assessing the performance of ΔSCF and the diagonal second-order self-energy approximation for calculating vertical core excitation energies

Assessing the performance of ΔSCF and the diagonal second-order self-energy approximation for calculating vertical core excitation energies
复制标题

评估 ΔSCF 和对角二阶自能近似计算垂直核心激发能的性能

DOI:
10.1063/5.0100638
复制
发表时间:
2022
期刊:
The Journal of Chemical Physics
影响因子:
--
通讯作者:
Hratchian, Hrant P.
Hratchian, Hrant P.
中科院分区:
--
文献类型:
--
作者:
Zamani, Abdulrahman Y.;Hratchian, Hrant P.

文献摘要

相似文献