18 citations · 33 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2024★ 15 cited
Another Angle on Benchmarking Noncovalent Interactions
Vladimir Fishman, Michał Lesiuk, Jan M. L. Martin +1
For noncovalent interactions (NCIs), the CCSD(T) coupled cluster method is widely regarded as the `gold standard'. With localized orbital approximations, benchmarks for ever larger…
physics.chem-ph2022★ 18 cited
A Multimer Embedding Approach for Molecular Crystals up to Harmonic Vibrational Properties
Johannes Hoja, Alexander List, A. Daniel Boese
Accurate calculations of molecular crystals are crucial for drug design and crystal engineering. However, periodic high-level density functional calculations using hybrid functiona…