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The Journal of Chemical Physics|August 6, 2020
Extended Koopmans' theorem in the adiabatic connection formalism: Applied to doubly hybrid density functionalsYonghao Gu, Xin XuJournal of Computational Chemistry|February 1, 2020
Extended Koopmans' theorem at the second-order perturbation theoryYonghao Gu, Xin XuPhysical Chemistry Chemical Physics : PCCP|September 30, 2020
A correlation-relaxation-balanced direct method at the second order perturbation theory for accurate ionization potential predictionsYonghao Gu, Xin XuJournal of Chemical Theory and Computation|November 29, 2021
Symmetry Dilemma of Doubly Hybrid Density Functionals for Equilibrium Molecular Property CalculationsYonghao Gu, Xin XuJournal of Chemical Theory and Computation|July 6, 2021
Second-Order Analytic Derivatives for XYG3 Type of Doubly Hybrid Density Functionals: Theory, Implementation, and Application to Harmonic and Anharmonic Vibrational Frequency CalculationsYonghao Gu, Zhenyu Zhu, Xin XuProceedings of the National Academy of Sciences of the United States of America|April 18, 2024
Chemical bond reorganization in intramolecular proton transfer revealed by ultrafast X-ray photoelectron spectroscopyYonghao Gu, Haiwang Yong, Bing Gu, et al.Accounts of Chemical Research|October 2, 2023
Cavity Control of Molecular Spectroscopy and PhotophysicsBing Gu, Yonghao Gu, Vladimir Y Chernyak, et al.JACS Au|August 29, 2025
Machine Learning Accurate Exchange-Correlation Potentials for Reducing Delocalization Error in Density Functional TheoryYuan Zhuang, Yonghao Gu, Beini Zhang, et al.Documenta Ophthalmologica. Advances in Ophthalmology|August 9, 2003
A potential spontaneous rat model of X-linked congenital stationary night blindnessZuoming Zhang, Yonghao Gu, Li Li, et al.Photodiagnosis and Photodynamic Therapy|November 7, 2023
Evaluation of anterior chamber morphology following scleral buckling with PentacamKai Zhu, Xiaojun Li, Enliang Zhou, et al.Pageof 521