Efficient Treatment of Relativistic Effects with Periodic Density Functional Methods: Energies, Gradients, and Stress Tensors

Documenti analoghi

• Surface Modification and Subsequent Fermi Density Enhancement of Bi(111)
  di: Zhussupbekov, Kuanysh, et al.
  Pubblicazione: (2024)
• A Universal Method to Transform Aromatic Hydrocarbon Molecules into Confined Carbyne inside Single-Walled Carbon Nanotubes
  di: Chen, Yingzhi, et al.
  Pubblicazione: (2024)
• Molecular-Scale Visualization of Steric Effects of Ligand Binding to Reconstructed Au(111) Surfaces
  di: Bi, Liya, et al.
  Pubblicazione: (2023)
• Efficient $GW$ band structure calculations using Gaussian basis functions and application to atomically thin transition-metal dichalcogenides
  di: Pasquier, Rémi, et al.
  Pubblicazione: (2025)
• Classifying destructive quantum interference in molecular junctions: Towards molecular quantum rulers
  di: Krieger, Lukas, et al.
  Pubblicazione: (2025)