New basis sets improve calculations for heavy elements, enhancing material property predictions.
― 6 min read
Igor Ying Zhang
This article discusses improvements in self-interaction correction methods within density-functional theory.
― 6 min read
Cutting edge science explained simply
New basis sets improve calculations for heavy elements, enhancing material property predictions.
― 6 min read
This article discusses improvements in self-interaction correction methods within density-functional theory.
― 6 min read