Extension of the Active-Orbital-Based and Adaptive CC($P$;$Q$) Approaches to Excited Electronic States: Application to Potential Cuts of Water

Documenti analoghi

• Extension of the CIPSI-Driven CC($P$;$Q$) Approach to Excited Electronic States
  di: Priyadarsini, Swati S., et al.
  Pubblicazione: (2026)
• The Singlet-Triplet Gap of Cyclobutadiene: The CIPSI-Driven CC($P$;$Q$) Study
  di: Priyadarsini, Swati S., et al.
  Pubblicazione: (2024)
• Extension of the CC($P$;$Q$) Formalism to the Electron Attachment and Ionization Potential Equation-of-Motion Coupled-Cluster Frameworks
  di: Gururangan, Karthik, et al.
  Pubblicazione: (2025)
• Double Electron Attachment and Double Ionization Potential Equation-of-Motion Coupled-Cluster Approaches with Full and Active-Space Treatments of 4-Particle-2-Hole and 4-Hole-2-Particle Excitations and Three-Body Clusters
  di: Shen, Jun, et al.
  Pubblicazione: (2026)
• Double Ionization Potential Equation-of-Motion Coupled-Cluster Approach with Full Inclusion of 4-Hole-2-Particle Excitations and Three-Body Clusters
  di: Gururangan, Karthik, et al.
  Pubblicazione: (2024)