Lignende værker

• Machine learning the two-electron reduced density matrix in molecules and condensed phases
  af: B., Jessica A. Martinez, et al.
  Udgivet: (2026)
• Vibrational frequencies and stark tuning rate with continuum electro-chemical models and grand canonical density functional theory
  af: Weng, Mouyi, et al.
  Udgivet: (2025)
• Solvation effects on halides core spectra with Multilevel Real-Time quantum embedding
  af: B., Jessica A. Martinez, et al.
  Udgivet: (2024)
• Nonlocal vs Local Pseudopotentials Affect Kinetic Energy Kernels in Orbital-Free DFT
  af: Moldabekov, Zhandos A., et al.
  Udgivet: (2024)
• The OpenMMPol Library for Polarizable QM/MM Calculations of Properties and Dynamics
  af: Bondanza, Mattia, et al.
  Udgivet: (2024)