First-principles simulations of organic compounds: Solid CO2 under pressure

This publication has 13 references indexed in Scilit:

• H2O hydrogen bonding in density-functional theory
  Physical Review B, 1997
• A density-functional study of the intermolecular interactions of benzene
  The Journal of Chemical Physics, 1996
• Generalized Gradient Approximation Made Simple
  Physical Review Letters, 1996
• Ab initio molecular dynamics simulation of liquid water: Comparison of three gradient-corrected density functionals
  The Journal of Chemical Physics, 1996
• Structural Phase Transformations via First-Principles Simulation
  Europhysics Letters, 1994
• Crystal Structure of the High-Pressure Phase of Solid CO ₂
  Science, 1994
• The performance of a family of density functional methods
  The Journal of Chemical Physics, 1993
• Generalized norm-conserving pseudopotentials
  Physical Review B, 1989
• Static and dynamic properties of solid CO2 at various temperatures and pressures
  The Journal of Chemical Physics, 1989
• Prediction of a high-pressure phase transition and other properties of solidCO2at low temperatures
  Physical Review B, 1988