Yang Guo

19PUBLICATIONS
32CO-AUTHORS
Radiation and matterIntegrable systems (classical and quantum)Theoretical quantum chemistryStatistical mechanics in chemistryCondensed matter modelling and density functional theory
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Publications (19)

|Oct 23, 2026
A Near-FCI Framework for Vibrationally Resolved X-ray Absorption Spectra.

|Sep 28, 2026
New features of BDF since 2020.

|Jul 13, 2026
A Perturbative Super-CI Approach for Orbital Optimization in Two-Component Relativistic CASSCF.

|Jun 11, 2025
Sublinear scaling method for indirect spin-spin coupling constant calculations at Hartree-Fock and density functional theory level.

Bohan Yan, Yong Zhang, Yang Guo

|May 28, 2025
Approximation to Second Order N-Electron Valence State Perturbation Theory: Limiting the Wave Function within Singles.

Yang Guo, Katarzyna Pernal

|Apr 11, 2025
Approximations of density matrices in N-electron valence state second-order perturbation theory (NEVPT2). III. Large active space calculations with selected configuration interaction reference.

Yang Guo, Kantharuban Sivalingam, Vijay Gopal Chilkuri

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Frequent Collaborators

6 joint publications

Frank Neese

6 joint publications

Wenjian Liu

4 joint publications

Wei Li

4 joint publications

Shuhua Li