Post-CCSD(T) corrections to bond distances and vibrational frequencies: the power of $\Lambda$

Maciej Spiegel, Emmanouil Semidalas, Jan M. L. Martin +2

The importance of post-CCSD(T) corrections as high as CCSDTQ56 for ground-state spectroscopic constants ($D_e$, ${\omega }_e$, ${\omega }_e{x}_e$, and ${\alpha }_e$) has been surveyed for a sample of two do…