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The Journal of Chemical Physics|April 8, 2026
Formal O(N3) scaling GW calculations by block tensor decomposition for large molecule systemsYueyang Zhang, Wei Wu, Peifeng Su
The Journal of Chemical Physics|August 22, 2024
Real-space energy decomposition analysis method for qualitative and quantitative interpretationsYueyang Zhang, Xuewei Xiong, Wei Wu, et al.
The Journal of Chemical Physics|May 15, 2024
Energy decomposition analysis method using density matrix formulationYueyang Zhang, Longxiang Yan, Wei Wu, et al.
The Journal of Chemical Physics|November 4, 2025
Block tensor decomposition: A dual-grid scheme with a formal O(N3) scale for THC decomposition of molecular systemsYueyang Zhang, Xuewei Xiong, Wei Wu, et al.
The Journal of Chemical Physics|March 24, 2025
Energy decomposition analysis method with the DFT-in-xTB embedding strategy for intermolecular interactions in large systemsXuewei Xiong, Yueyang Zhang, Wei Wu, et al.
The Journal of Physical Chemistry. A|June 18, 2026
Mapping the Energy Flow of Cooperativity: Real-Space Energy Decomposition Analysis of the Three-Body EffectYueyang Zhang, Qiang Zhang, Fuming Ying, et al.
Physical Chemistry Chemical Physics : PCCP|October 12, 2018
What kind of neutral halogen bonds can be modulated by solvent effects?Dan Shen, Peifeng Su, Wei Wu
The Journal of Chemical Physics|July 27, 2012
Free energy decomposition analysis of bonding and nonbonding interactions in solutionPeifeng Su, Hui Liu, Wei Wu
Molecules (Basel, Switzerland)|March 11, 2023
Radical Pairing Interactions and Donor-Acceptor Interactions in Cyclobis(paraquat-p-phenylene) Inclusion ComplexesWei Wang, Wei Wu, Peifeng Su
The Journal of Physical Chemistry. A|March 12, 2014
Energy decomposition scheme based on the generalized Kohn-Sham schemePeifeng Su, Zhen Jiang, Zuochang Chen, et al.
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