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List of works by Jie J. Bao

Automatic Active Space Selection for Calculating Electronic Excitation Energies Based on High-Spin Unrestricted Hartree-Fock Orbitals

scientific article published on 09 September 2019

Automatic Selection of an Active Space for Calculating Electronic Excitation Spectra by MS-CASPT2 or MC-PDFT.

scientific article published on 27 February 2018

Compressed-State Multistate Pair-Density Functional Theory

scientific article published on 03 November 2020

Multi-state pair-density functional theory

scientific article published on 17 September 2020

Multiconfiguration pair-density functional theory for doublet excitation energies and excited state geometries: the excited states of CN.

scientific article

Multireference Methods for Calculating the Dissociation Enthalpy of Tetrahedral P4 to Two P2

scientific article published on 20 June 2018

OpenMolcas: From Source Code to Insight

scientific article published on 01 October 2019

The OpenMolcas <i>Web</i>: A Community-Driven Approach to Advancing Computational Chemistry

scientific article published in 2023

Weak Interactions in Alkaline Earth Metal Dimers by Pair-Density Functional Theory

scientific article published on 4 February 2019

Zero-Field Splitting Calculations by Multiconfiguration Pair-Density Functional Theory

scientific article published on 23 March 2022

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