Periodic Solids

From QMC

• Li
  • Lattice constant, bulk modulus, cohesive energy (VMC)
  • Lattice constant, bulk modulus, cohesive energy (pseudopotential VMC)
• BN (pseudopotential VMC)
• C
  • Cohesive energy (diamond) (pseudopotential VMC)
  • Vacancy defect (pseudopotential DMC)
  • Equation of state & Raman frequency (diamond) (pseudopotential VMC and DMC)
• N (pseudopotential VMC and DMC)
• Ne (pseudopotential VMC and DMC)
• Na (pseudopotential VMC and DMC)
• Mg (pseudopotential DMC)
• MgH₂ (pseudopotential DMC)
• MgO
  • Schottky defect formation (pseudopotential DMC)
  • B1-B2 phase transition (pseudopotential DMC)
• Al (bulk modulus) (pseudopotential VMC)
• Si
  • Cohesive energy (pseudo-Hamiltonian Green's function MC)
  • Excited states (pseudopotential DMC)
  • Diamond-to-β-tin phase transition [1] [2] (pseudopotential DMC)
  • Single self-interstitial defects [3] [4] (pseudopotential DMC)
• FeO (pseudopotential DMC)
• NiO
  • Cohesive energy & lattice constant (pseudopotential VMC)
  • Cohesive energy (pseudopotential DMC)
• Ge (pseudopotential VMC and DMC)