Yunlong Xiao

8PUBLICATIONS
10CO-AUTHORS
Theoretical quantum chemistryOrdinary differential equations, difference equations and dynamical systemsComputational chemistryIntegrable systems (classical and quantum)
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Publications (8)

|Jun 11, 2026
Analytic Nonadiabatic Derivative Couplings Using Noncollinear Spin-Flip TDDFT.

|Nov 10, 2025
Noncollinear Spin-Flip TDDFT for Potential Energy Surface Crossings: Conical Intersections and Spin Crossings.

Xiaoyu Zhang, Tai Wang, Yi Qin Gao

|Jul 10, 2025
Zero Excitation Energy Theorem and the Spin-Flip Kernel.

Tai Wang, Hao Li, Yi Qin Gao

|Mar 05, 2025
Analytic Gradient for Spin-Flip TDDFT Using Noncollinear Functionals in the Multicollinear Approach.

Hao Li, Qiming Sun, Yi Qin Gao

|Nov 27, 2024
Real-Time TDDFT Using Noncollinear Functionals.

Hao Li, Zhichen Pu, Yi Qin Gao

|May 17, 2024
Generating High-Precision Force Fields for Molecular Dynamics Simulations to Study Chemical Reaction Mechanisms Using Molecular Configuration Transformer.

Sihao Yuan, Xu Han, Jun Zhang

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Frequent Collaborators

6 joint publications

Yi Qin Gao

3 joint publications

Tai Wang

1 joint publications

Ning Zhang

1 joint publications

Wenjian Liu