2 papers
physics.chem-ph2023
Reduced Scaling Real-Time Coupled Cluster Theory
Benjamin G. Peyton, Zhe Wang, T. Daniel Crawford
Real-time coupled cluster (CC) methods have several advantages over their frequency-domain counterparts, namely, response and equation of motion CC theories. Broadband spectra, str…
physics.chem-ph2022
Efficient Calculation of NMR Shielding Constants Using Composite Method Approximations and Locally Dense Basis Sets
Jiashu Liang, Zhe Wang, Jie Li +5
This paper presents a systematic study of applying composite method approximations with locally dense basis sets (LDBS) to efficiently calculate NMR shielding constants in small an…