Singlet/triplet exciton dissociation and charge recombination in donor-acceptor ThQs-C60/PDIxCN2 complexes. - ZhiYe Zhu; Yi Zhao 008; WanZhen Liang (J. Comput. Chem., 2019)

Efficient parallel linear scaling method to get the response density matrix in all-electron real-space density-functional perturbation theory. - Honghui Shang; WanZhen Liang; Yunquan Zhang; Jinlong Yang 003 (Comput. Phys. Commun., 2021)

Comment on "A posteriori localization of many-body excited states through simultaneous diagonalization". - Yu-Chen Wang; Shishi Feng; WanZhen Liang; Yi Zhao 008 (J. Comput. Chem., 2023)

A theoretical investigation of benzothiadiazole derivatives for high efficiency OLEDs. - ZhiYe Zhu; Xiaoqing Wei; WanZhen Liang (J. Comput. Chem., 2024)