Yang Guo

17PUBLICATIONS
21CO-AUTHORS
Theoretical quantum chemistryCondensed matter modelling and density functional theoryStatistical mechanics in chemistryIntegrable systems (classical and quantum)Mathematical aspects of quantum and conformal field theory, quantum gravity and string theory
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Publications (17)

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

|Jul 01, 2026
Correction to "Cluster-in-Molecule Local Correlation Method with an Accurate Distant Pair Correction for Large Systems".

|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

|Jan 28, 2025
QUEST#4X: An Extension of QUEST#4 for Benchmarking Multireference Wave Function Methods.

Yangyang Song, Ning Zhang, Yibo Lei

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Frequent Collaborators

6 joint publications

Frank Neese

5 joint publications

Wenjian Liu

4 joint publications

Wei Li

4 joint publications

Shuhua Li