3 datasets found

Although graphite and hexagonal boron nitride lie at the heart of many technological applications, their accurate theoretical description using density-functional-theory-based...

The accurate description of van-der-Waals forces within DFT is currently one of the most active areas of research in computational physics and chemistry. In the case of soft...

The accurate description of van-der-Waals forces within density functional theory is currently one of the most active areas of research in computational physics and chemistry....