Yangyi Lu

11PUBLICATIONS
19CO-AUTHORS
Mathematical aspects of general relativityRadiation and matterStatistical mechanics, physical combinatorics and mathematical aspects of condensed matterTheoretical quantum chemistryChemical thermodynamics and energetics
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Publications (11)

|May 05, 2026
Local Spectral Formulation of the One-Determines-All (ODA) Principle for Multistate Density Functionals.

|Feb 17, 2026
Target State Optimization with Density Functional Theory for Computing K-Edge X-ray Absorption Spectra.

Hong Zhu, Yangyi Lu, Jiali Gao

|Mar 11, 2025
Function domains and the universal matrix functional of multi-state density functional theory.

Yangyi Lu, Jiali Gao

|Sep 24, 2024
Structure of Multi-State Correlation in Electronic Systems.

Yangyi Lu, Jiali Gao

|Sep 28, 2023
Leveling the Mountain Range of Excited-State Benchmarking through Multistate Density Functional Theory.

Hong Zhu, Ruoqi Zhao, Yangyi Lu

|Jul 28, 2023
Multistate Energy Decomposition Analysis of Molecular Excited States.

Christian P Hettich, Xiaoyong Zhang, David Kemper

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Frequent Collaborators

8 joint publications

Jiali Gao

5 joint publications

Jun Zhang

2 joint publications

Xiaoyong Zhang

1 joint publications

Hugh G A Burton