New basis sets improve calculations for heavy elements, enhancing material property predictions.
― 6 min read
Cutting edge science explained simply
New basis sets improve calculations for heavy elements, enhancing material property predictions.
― 6 min read
Research advances understanding of water clusters and their energy properties using RPA.
― 6 min read
Exploring a new method to predict materials' excited-state properties with high accuracy.
― 6 min read
LibRPA streamlines energy calculations in materials science for large systems.
― 5 min read
A look into the challenges of calculating correlation energies in diatomic molecules.
― 8 min read
Discover how temperature affects the movement of electrons in materials.
― 7 min read
Explore how Density Functional Theory helps scientists study atomic interactions.
― 6 min read