Weitao Yang

63PUBLICATIONS
120CO-AUTHORS
Theoretical quantum chemistryElectrochemistryLasers and quantum electronicsMain group metal chemistryStatistical mechanics, physical combinatorics and mathematical aspects of condensed matter
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Publications (63)

|Aug 06, 2026
The rocky path of DFT into chemistry-Discussions at a symposium and reflections on a circular journey in honor of Axel Becke 1953-2025.

|Jun 15, 2026
Fractional charge density functional theory elucidates electro-inductive and electric field effects at electrochemical interfaces.

|Jun 09, 2026
Velocity gauge for oscillator strength in ΔSCF theory.

|Jun 04, 2026
Eliminating delocalization error through localized orbital scaling correction with orbital relaxation from linear response.

|Apr 09, 2026
LibppRPA: An open-source library for particle-particle random phase approximation.

Jincheng Yu, Jiachen Li, Chaoqun Zhang

|Jan 21, 2026
Correction to "Electronic Excitation Energy Calculations with Configuration Interaction Based on Nonorthogonal Localized Molecular Orbitals".

Feng Long Gu, Daoling Peng, Liang Peng

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Frequent Collaborators

11 joint publications

Jiachen Li

8 joint publications

Jincheng Yu

7 joint publications

Neil Qiang Su

4 joint publications

Tianyu Zhu