Title of article :
Quasi-continuum orbital-free density-functional theory: A route to multi-million atom non-periodic DFT calculation
Author/Authors :
Vikram Gavini، نويسنده , , Kaushik Bhattacharya ، نويسنده , , Michael Ortiz، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2007
Keywords :
calculus of variations , Vacanciesin aluminium , Quasi-continuum , Finite-elements , Density-functional theory (DFT)
Journal title :
Journal of the Mechanics and Physics of Solids
Journal title :
Journal of the Mechanics and Physics of Solids
