Hui Li

7PUBLICATIONS
8CO-AUTHORS
Statistical mechanics, physical combinatorics and mathematical aspects of condensed matterTheoretical quantum chemistryAtomic and molecular physics
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Publications (7)

|Dec 09, 2021
A new permutation-symmetry-adapted machine learning diabatization procedure and its application in MgH2 system.

You Li, Jingmin Liu, Jiarui Li

|Aug 11, 2020
Explicitly correlated ab initio potential energy surface and predicted rovibrational spectra for H2O-N2 and D2O-N2 complexes.

Lu Wang, Xiao-Long Zhang, Yu Zhai

|Jun 08, 2020
Analytic intermolecular potential energy surface and first-principles prediction of the rotational profiles for a symmetric top ion-atom complex: A case study of H3O+-Ar.

Dan Hou, Ji-Tai Yang, Yu Zhai

|Aug 24, 2019
Full quantum calculation of the rovibrational states and intensities for a symmetric top-linear molecule dimer: Hamiltonian, basis set, and matrix elements.

Xiao-Long Zhang, Yong-Tao Ma, Yu Zhai

|Jun 03, 2019
Erratum: "Analytic Morse/long-range potential energy surfaces and 'adiabatic-hindered-rotor' treatment for a symmetric top-linear molecule dimer: A case study of CH3F-H2" [J. Chem. Phys. 148, 124302 (2018)].

Xiao-Long Zhang, Yong-Tao Ma, Yu Zhai

|Apr 02, 2018
Analytic Morse/long-range potential energy surfaces and "adiabatic-hindered-rotor" treatment for a symmetric top-linear molecule dimer: A case study of CH3F-H2.

Xiao-Long Zhang, Yong-Tao Ma, Yu Zhai

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Frequent Collaborators

7 joint publications

Yu Zhai

5 joint publications

Xiao-Long Zhang

1 joint publications

Marcel Nooijen

1 joint publications

You Li