Periodic Solids

From QMC

• He (pseudopotential DMC)
• Li
  • Lattice constant, bulk modulus, cohesive energy (VMC)
  • Lattice constant, bulk modulus, cohesive energy (pseudopotential VMC)
• LiH (pseudopotential DMC)
• BN
  • Lattice constant, bulk modulus, cohesive energy (pseudopotential VMC)
  • Equation of state & Raman frequencies (pseudopotential and all-electron DMC)
• 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
  • Cohesive energy and bandwidth (pseudopotential VMC and DMC)
  • Cohesive energy (pseudopotential 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] [3](pseudopotential DMC)
  • Single self-interstitial defects [4] [5] (pseudopotential DMC)
• SiO₂ (pseudopotential DMC)
• Fe (pseudopotential DMC)
• FeO (pseudopotential DMC)
• NiO
  • Cohesive energy & lattice constant (pseudopotential VMC)
  • Cohesive energy (pseudopotential DMC)
• GaAs (pseudopotential VMC)
• Ge (pseudopotential VMC and DMC)