Assessing exchange-correlation functionals for elasticity and thermodynamics of α-ZrW2O8: A density functional perturbation theory study

Assessing exchange-correlation functionals for elasticity and thermodynamics of α-ZrW2O8: A density functional perturbation theory study

Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics Letters - Volume 698, 16 April 2018, Pages 195-199

Philippe F. Weck, Eunja Kim, Jeffery A. Greathouse, Margaret E. Gordon, Charles R. Bryan,