基于多参考态组态相互作用的自旋-轨道耦合计算方法和程序实现
序号 | 标题 | 类型 | 作者 |
---|---|---|---|
1 | Theoretical Study of Low-Lying Omega Electronic States of PtH and PtH+ | 期刊论文 | Shen Kaiyuan;Suo Bingbing;Zou Wenli |
2 | Unraveling the Emission Mechanism of Radical-Based Organic Light-Emitting Diodes | 期刊论文 | He Chuhuan;Li Zhendong;Lei Yibo;Zou Wenli;Suo Bingbing |
3 | Exploring the electronic structure and stability of HgF6: Exact 2-Component (X2C) relativistic DFT and NEVPT2 studies | 期刊论文 | Gao Chun;Hu Shu Xian;Han Huixian;Guo Guina;Suo Bingbing;Zou Wenli |
4 | Development of Xi'an-CI package - applying the hole-particle symmetry in multi-reference electronic correlation calculations | 期刊论文 | Suo Bingbing;Lei Yibo;Han Huixian;Wang Yubin |
5 | 第一性原理研究O和S掺杂的石墨相氮化碳(g-C_3N_4)_6量子点电子结构和光吸收性质 | 期刊论文 | 翟顺成;郭平;郑继明;赵普举;索兵兵;万云 |
6 | 空穴-粒子对称的图形酉群方法在组态相互作用理论中的应用 | 奖励 | 文振翼;索兵兵;王育彬;雷依波;韩慧仙;翟高红;彭谦 |
7 | Electronic Structure of OsSi Calculated by MS-NEVPT2 with Inclusion of the Relativistic Effects | 期刊论文 | Suo Bingbing;Lian Yongqin;Zou Wenli;Lei Yibo |