Jie J Bao

13PUBLICATIONS
104CO-AUTHORS
Photonics, optoelectronics and optical communicationsTheoretical quantum chemistryProgramming languagesCondensed matter modelling and density functional theoryFormal methods for software
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Publications (13)

|Mar 20, 2025
Improvement of Fourteen Coupled Global Potential Energy Surfaces of 3A' States of O + O2.

Xiaorui Zhao, Yinan Shu, Qinghui Meng

|Jan 10, 2025
A hybrid meta on-top functional for multiconfiguration pair-density functional theory.

Jie J Bao, Dayou Zhang, Shaoting Zhang

|Feb 26, 2024
Minimum-Energy Conical Intersections by Compressed Multistate Pair-Density Functional Theory.

Paul B Calio, Matthew R Hermes, Jie J Bao

|May 22, 2023
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry.

Giovanni Li Manni, Ignacio Fdez Galván, Ali Alavi

|Nov 16, 2022
Application of Multiconfiguration Pair-Density Functional Theory to the Diels-Alder Reaction.

Erica C Mitchell, Thais R Scott, Jie J Bao

|Jul 22, 2022
Electronic structure of strongly correlated systems: recent developments in multiconfiguration pair-density functional theory and multiconfiguration nonclassical-energy functional theory.

Chen Zhou, Matthew R Hermes, Dihua Wu

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Frequent Collaborators

13 joint publications

Donald G Truhlar

7 joint publications

Laura Gagliardi

3 joint publications

Sijia S Dong

3 joint publications

Ignacio Fdez Galván