Structural and electronic properties of bulk Li$_{2}$O$_{2}$: first-principles simulations based on numerical atomic orbitals

Documenti analoghi

• Systematic generation of electron models for Second-Principles Density Functional Theory Methods
  di: Carral-Sainz, Nayara, et al.
  Pubblicazione: (2025)
• Extension of Second-Principles Density Functional Theory into the time domain
  di: Fernández-Ruiz, Toraya, et al.
  Pubblicazione: (2025)
• Enormously Large Nonlinear Optical Properties of Li 2 F@Si 60 ‐LiF 2 : A First Principle Study
  di: Paul M. Masanja, et al.
  Pubblicazione: (2026)
• Strain dependence of the Bloch domain component in 180$^\circ$ domains in bulk PbTiO$_{3}$ from first-principles
  di: Chege, Stephen, et al.
  Pubblicazione: (2025)
• Crystal orbital overlap population based on all-electron ab initio simulation with numeric atom-centered orbitals and its application to chemical-bonding analysis in Li-intercalated layered materials
  di: Takahara, Izumi, et al.
  Pubblicazione: (2024)