Showing results (21-30 of 188) with videos related to
Sort By:
Pageof 19
Proceedings of the National Academy of Sciences of the United States of America|February 16, 2018
Doubly hybrid density functionals that correctly describe both density and energy for atomsNeil Qiang Su, Zhenyu Zhu, Xin XuThe Journal of Physical Chemistry Letters|January 6, 2019
Renormalized Singles Green's Function for Quasi-Particle Calculations beyond the G0 W0 ApproximationYe Jin, Neil Qiang Su, Weitao YangThe Journal of Physical Chemistry. A|May 28, 2025
Unveiling the Delicate Balance of Polarity and Strain Effect in Determining the Site-Selective Intramolecular Hydrogen Atom TransfersZhonghua Hao, Wenna Ai, Neil Qiang SuThe Journal of Physical Chemistry Letters|February 1, 2020
Preserving Symmetry and Degeneracy in the Localized Orbital Scaling Correction ApproachNeil Qiang Su, Aaron Mahler, Weitao YangProceedings of the National Academy of Sciences of the United States of America|September 12, 2018
Describing strong correlation with fractional-spin correction in density functional theoryNeil Qiang Su, Chen Li, Weitao YangJACS Au|July 5, 2022
Describing Chemical Reactivity with Frontier Molecular OrbitaletsJincheng Yu, Neil Qiang Su, Weitao YangThe Journal of Physical Chemistry Letters|June 28, 2017
Accurate Quasiparticle Spectra from the T-Matrix Self-Energy and the Particle-Particle Random Phase ApproximationDu Zhang, Neil Qiang Su, Weitao YangJournal of Chemical Theory and Computation|October 27, 2025
A Benchmark Database for Spin-Flip Gap Calculations in Single- and Multireference Systems Using ΔDFT and BeyondXiang Li, Wenna Ai, Neil Qiang SuThe Journal of Chemical Physics|November 7, 2023
Short-range screened density matrix functional for proper descriptions of thermochemistry, thermochemical kinetics, nonbonded interactions, and singlet diradicalsWenna Ai, Neil Qiang Su, Wei-Hai FangJournal of Computational Chemistry|May 18, 2013
Analytic derivatives for the XYG3 type of doubly hybrid density functionals: Theory, implementation, and assessmentNeil Qiang Su, Igor Ying Zhang, Xin XuPageof 19