Department Publications

1990s

1996

3. Development of a Kohn-Sham like potential in the self-consistent atomic deformation model

   M. J. Mehl, H. T. Stokes, and L. L. Boyer

   J. Phys. Chem. Solids 57 (10), 1405-1407 (1996).
   
4. Spherical self-consistent atomic deformation model for first-principles energy calculations in ionic crystalline solids

   Harold T. Stokes, L. L. Boyer, and M. J. Mehl

   Phys. Rev. B 54 (11), 7729-7736 (1996).
   
5. A Model to Compute Phase Diagrams in Oxides with Empirical or First-Principles Energy Methods and Application to the Solubility Limits in the CaO–MgO System

   Patrick D. Tepesch, Adrian F. Kohan, Gerardo D. Garbulsky, Gerbrand Ceder, Crystal Coley, Harold T. Stokes, … (5 other authors)
   

^‡Undergraduate Student Author

^†Graduate Student Author