135 citations · 161 across the 2 of their papers we have counts for
4 papers
A comparative study using state-of-the-art electronic structure theories on solid hydrogen phases under high pressures
Ke Liao, Xin-Zheng Li, Ali Alavi +1
Identifying the atomic structure and properties of solid hydrogen under high pressures is a long-standing problem of high-pressure physics with far-reaching significance in planeta…
Coupled cluster theory in materials science
Igor Ying Zhang, Andreas Grüneis
In this tutorial-style review we discuss basic concepts of coupled cluster theory and recent developments that increase its computational efficiency for calculations of molecules,…
Particle-particle ladder based basis-set corrections applied to atoms and molecules using coupled-cluster theory
Andreas Irmler, Andreas Grüneis
We investigate the basis-set convergence of electronic correlation energies calculated using coupled cluster theory and a recently proposed finite basis-set correction technique. T…
On the physisorption of water on graphene: Sub-chemical accuracy from many-body electronic structure methods
Jan Gerit Brandenburg, Andrea Zen, Martin Fitzner +6
Molecular adsorption on surfaces plays a central role in catalysis, corrosion, desalination, and many other processes of relevance to industry and the natural world. Few adsorption…