A finite-element Delta-Sternheimer approach for computing accurate all-electron RPA correlation energies of polyatomic molecules

Documenti analoghi

• $\textit{Ab initio}$ correlated calculations without finite basis-set error: Numerically precise all-electron RPA correlation energies for diatomic molecules
  di: Peng, Hao, et al.
  Pubblicazione: (2024)
• Gaussian basis sets for all-electron excited-state calculations of large molecules
  di: Pasquier, Rémi, et al.
  Pubblicazione: (2025)
• Analytical gradients of random-phase approximation plus corrections from renormalized single excitations
  di: Tahir, Muhammad N., et al.
  Pubblicazione: (2025)
• Coupled cluster theory for positron binding in anions and polyatomic molecules
  di: Riso, Rosario R., et al.
  Pubblicazione: (2026)
• Atomic momentum distributions in polyatomic molecules in rotational-vibrational eigenstates
  di: Sakaguchi, Sota, et al.
  Pubblicazione: (2024)