Dongyu Lyu

1 Introduction High-accuracy quantum chemistry (QC) computations are integral to understanding day-to-day processes. One of these is, for example, the use of high-accuracy thermochemical calculations to understand atmospheric chemistry. Coupled cluster theory with single, double, and a perturbative treatment of triple excitations (CCSD(T)) is widely regarded as the “gold standard” in quantum chemistry for accurately describing electron correlation in molecular systems [1].