Proton Quantum Effects in H$_3$S Electronic Structure: A Multicomponent DFT study via Nuclear-Electronic Orbital Method

Documenti analoghi

• Lagrangian Formulation of Nuclear-Electronic Orbital Ehrenfest Dynamics with Real-time TDDFT for Extended Periodic Systems
  di: Xu, Jianhang, et al.
  Pubblicazione: (2024)
• Proton Quantum Effects on Electronic Excitation in Hydrogen-bonded Organic Solid: A First-Principles Green's Function Theory Study
  di: Bhattacharya, Sampreeti, et al.
  Pubblicazione: (2026)
• Electron-phonon vertex correction effect in superconducting H3S
  di: Mishra, Shashi B., et al.
  Pubblicazione: (2025)
• Electronic structure theory of H$_{3}$S: Plane-wave-like valence states, density-of-states peak and its guaranteed proximity to the Fermi level
  di: Akashi, Ryosuke
  Pubblicazione: (2026)
• The New Resonating Valence Bond Method for Ab-Initio Electronic Simulations
  di: Sorella, Sandro, et al.
  Pubblicazione: (2013)