Exploring the Influence of (n-1)d Subvalence Correlation and of Spin-Orbit Coupling on Chalcogen Bonding

Documenti analoghi

• On the sensitivity of computed partial charges toward basis set and (exchange-)correlation treatment
  di: Mehta, Nisha, et al.
  Pubblicazione: (2023)
• Algebraic Diagrammatic Construction Theory of Charged Excitations With Consistent Treatment of Spin-Orbit Coupling and Dynamic Correlation
  di: Majumder, Rajat, et al.
  Pubblicazione: (2024)
• Consistent Second-Order Treatment of Spin-Orbit Coupling and Dynamic Correlation in Quasidegenerate N-Electron Valence Perturbation Theory
  di: Majumder, Rajat, et al.
  Pubblicazione: (2024)
• How Symmetry Governs the Dihedral Angle Dependence of Intermolecular Spin-Orbit Coupling
  di: Garzon-Ramirez, Antonio J., et al.
  Pubblicazione: (2026)
• Accelerated Surface Hopping via Scaling the Spin--Orbit Coupling: Opportunities for Machine Learning
  di: Martinka, Jakub, et al.
  Pubblicazione: (2026)