日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

Localized orbital scaling correction for periodic systems

周期系统的局域轨道标度修正

Mahler, Aaron; Williams, Jacob; Su, Neil Qiang; Yang, Weitao

Combining localized orbital scaling correction and Bethe-Salpeter equation for accurate excitation energies

结合局域轨道标度校正和贝特-萨尔佩特方程,可精确计算激发能

Li, Jiachen; Jin, Ye; Su, Neil Qiang; Yang, Weitao

Preserving Symmetry and Degeneracy in the Localized Orbital Scaling Correction Approach

保持局域轨道标度校正方法中的对称性和简并性

Su, Neil Qiang; Mahler, Aaron; Yang, Weitao

Introductory lecture: when the density of the noninteracting reference system is not the density of the physical system in density functional theory

导论讲座:密度泛函理论中非相互作用参考系统的密度与物理系统的密度不一致的情况

Jin, Ye; Su, Neil Qiang; Chen, Zehua; Yang, Weitao

Revisiting the Hole Size in Double Helical DNA with Localized Orbital Scaling Corrections

利用局部轨道标度校正重新审视双螺旋DNA中的孔径大小

Jin, Ye; Ru, Xuyan; Su, Neil Qiang; Mei, Yuncai; Beratan, David N; Zhang, Peng; Yang, Weitao

Describing strong correlation with fractional-spin correction in density functional theory

描述密度泛函理论中与分数自旋修正的强相关性

Su, Neil Qiang; Li, Chen; Yang, Weitao

Product selectivity in plasmonic photocatalysis for carbon dioxide hydrogenation

等离子体光催化二氧化碳加氢的产物选择性

Zhang, Xiao; Li, Xueqian; Zhang, Du; Su, Neil Qiang; Yang, Weitao; Everitt, Henry O; Liu, Jie

Multireference Density Functional Theory with Generalized Auxiliary Systems for Ground and Excited States

具有广义辅助系统的多参考密度泛函理论用于基态和激发态

Chen, Zehua; Zhang, Du; Jin, Ye; Yang, Yang; Su, Neil Qiang; Yang, Weitao