Wenjian Liu
- iCISCF: An Iterative Configuration Interaction-based Multiconfigurational Self-consistent Field Theory for Large Active Spaces
2021/06/18 by Yang Guo, Ning Zhang, Guo, Yang +5 · 3 citations
Physics and Astronomy · #Astro and Planetary Science #Chemical Physics (physics.chem-ph) #Cold Atom Physics and Bose-Einstein Condensates #FOS: Physical sciences #Physics of Superconductivity and Magnetism
- Further Development of iCIPT2 for Strongly Correlated Electrons
2020/11/18 by Ning Zhang, Zhang, Ning, Wenjian Liu +3 · 2 citations
Chemical Engineering · Engineering · Physics and Astronomy · #Advanced Chemical Physics Studies #Ammonia Synthesis and Nitrogen Reduction #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Molecular Junctions and Nanostructures
- NAC-TDDFT: Time-dependent density functional theory for nonadiabatic couplings
2021/05/22 by Zikuan Wang, Wang, Zikuan, Chenyu Wu +3 · 1 citation
Chemistry · Physics and Astronomy · #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Molecular spectroscopy and chirality #Photochemistry and Electron Transfer Studies #Spectroscopy and Quantum Chemical Studies
- iOI: an Iterative Orbital Interaction Approach for Solving the Self-Consistent Field Problem
2021/05/01 by Zikuan Wang, Wenjian Liu, Wang, Zikuan +1 · 1 citation
Physics and Astronomy · Chemistry · #Spectroscopy and Quantum Chemical Studies #Advanced Chemical Physics Studies #Molecular spectroscopy and chirality
- Accelerating Fock build via hybrid analytical-numerical integration
2024/11/03 by Yong Zhang, Zhang, Yong, R. T. Lei +5 · 1 citation
Engineering · #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Semiconductor Lasers and Optical Devices
- Putting PASPT2 on a Firmer Basis
2026/07/24 by Chunzhang Liu, Ning Zhang, Wenjian Liu
Physics and Astronomy · #physics.chem-ph