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Journal of Chemical Theory and Computation|April 27, 2026
FR-TO ΔSCF: A Robust and Systematic Framework for Core ExcitationsLangyuan Qin, Bingbing SuoJournal of Chemical Theory and Computation|October 4, 2024
Efficient and Robust Ab Initio Self-Consistent Field Acceleration Algorithm Based on a Semiempirical Model HamiltonianLangyuan Qin, Zikuan Wang, Bingbing SuoThe Journal of Chemical Physics|June 22, 2007
Spectroscopic constants and potential energy curves of yttrium carbide (YC)Bingbing Suo, Krishnan BalasubramanianThe Journal of Physical Chemistry. A|July 28, 2016
Theoretical Study of Low-Lying Electronic States of PtX (X = F, Cl, Br, and I) Including Spin-Orbit CouplingWenli Zou, Bingbing SuoThe Journal of Chemical Physics|January 3, 2015
First order nonadiabatic coupling matrix elements between excited states: implementation and application at the TD-DFT and pp-TDA levelsZhendong Li, Bingbing Suo, Wenjian LiuJournal of Chemical Theory and Computation|July 27, 2021
iCAS: Imposed Automatic Selection and Localization of Complete Active SpacesYibo Lei, Bingbing Suo, Wenjian LiuThe Journal of Physical Chemistry. A|April 26, 2017
Theoretical Study of Low-Lying Ω Electronic States of PtH and PtH<sup></sup>Kaiyuan Shen, Bingbing Suo, Wenli ZouThe Journal of Chemical Physics|March 17, 2017
Localization of open-shell molecular orbitals via least change from fragments to moleculeHongyang Li, Wenjian Liu, Bingbing SuoInternational Journal of Molecular Sciences|January 21, 2022
New Light on an Old Story: Breaking Kasha's Rule in Phosphorescence Mechanism of Organic Boron Compounds and Molecule DesignDan Deng, Bingbing Suo, Wenli ZouThe Journal of Chemical Physics|March 10, 2015
Relativistic configuration interaction calculation on the ground and excited states of iridium monoxideBingbing Suo, Yan-Mei Yu, Huixian HanPageof 5