Extended Lagrangian molecular dynamics on vibronic surfaces in the nuclear-electronic orbital framework

Ähnliche Einträge

• Real-time nuclear-electronic orbital time-dependent density functional theory with a constrained traveling proton basis
  von: Boyer, Nicholas J., et al.
  Veröffentlicht: (2026)
• Nuclear-electronic orbital second-order coupled cluster for excited states
  von: Fetherolf, Jonathan H., et al.
  Veröffentlicht: (2025)
• Lagrangian Formulation of Nuclear-Electronic Orbital Ehrenfest Dynamics with Real-time TDDFT for Extended Periodic Systems
  von: Xu, Jianhang, et al.
  Veröffentlicht: (2024)
• Initialization with a Fock State Cavity Mode in Real-Time Nuclear--Electronic Orbital Polariton Dynamics
  von: Welman, Millan F., et al.
  Veröffentlicht: (2026)
• Nuclear-Electronic Orbital Multireference Configuration Interaction for Ground and Excited Vibronic States and Fundamental Insights into Multicomponent Basis Sets
  von: Malbon, Christopher L., et al.
  Veröffentlicht: (2025)