TD$Δ$SCF: Time-Dependent Density Functional Theory with a Non-Aufbau Reference for near-degenerate states

Documenti analoghi

• Double Configuration Interaction Singles: Scalable and size-intensive approach for orbital relaxation in excited states and bond-dissociation
  di: Tsuchimochi, Takashi
  Pubblicazione: (2024)
• Orbital Energies Are Chemical Potentials in Ground-State Density Functional Theory and Excited-State $Δ$SCF Theory
  di: Yang, Weitao, et al.
  Pubblicazione: (2024)
• Leveraging configuration interaction singles for qualitative descriptions of ground and excited states: state-averaging, linear-response, and spin-projection
  di: Tsuchimochi, Takashi, et al.
  Pubblicazione: (2026)
• Analytical Nuclear Gradients for State-Averaged Configuration Interaction Singles Variants: Application to Conical Intersections
  di: Tsuchimochi, Takashi
  Pubblicazione: (2026)
• Velocity Gauge for Oscillator Strength in $Δ$SCF theory
  di: Shen, Yang, et al.
  Pubblicazione: (2026)