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
Pages
22
From page
697
To page
718
Keywords
calculus of variations , Vacanciesin aluminium , Quasi-continuum , Finite-elements , Density-functional theory (DFT)
Journal title
Journal of the Mechanics and Physics of Solids
Serial Year
2007
Journal title
Journal of the Mechanics and Physics of Solids
Record number
355017
Link To Document