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List of works by Honghui Shang

Electron-phonon coupling in d -electron solids: A temperature-dependent study of rutile TiO2 by first-principles theory and two-photon photoemission

Evidence for photogenerated intermediate hole polarons in ZnO.

scientific article published on 22 April 2015

HONPAS: A linear scaling open-source solution for large system simulations

Implementation of exact exchange with numerical atomic orbitals.

scientific article published in January 2010

Implementation of screened hybrid density functional for periodic systems with numerical atomic orbitals: basis function fitting and integral screening

scientific article published on 01 July 2011

Increasing the Efficiency of Massively Parallel Sparse Matrix-Matrix Multiplication in First-Principles Calculation on the New-Generation Sunway Supercomputer

scientific article published in 2022

NNQS-Transformer: an Efficient and Scalable Neural Network Quantum States Approach for Ab initio Quantum Chemistry

scientific article published on 30 October 2023

Portable and Scalable All-Electron Quantum Perturbation Simulations on Exascale Supercomputers

scientific article published on 14 November 2023

The Moving-Grid Effect in the Harmonic Vibrational Frequency Calculations with Numeric Atom-Centered Orbitals

scientific article published on 27 March 2020

Ultrafast multiphoton pump-probe photoemission excitation pathways in rutileTiO2(110)

scientific article

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