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Augmented Lagrangian formulation of Orbital-Free Density Functional Theory Submitted by Phanish Suryan… on Mon, 08/11/2014 - 18:12 research electronic structure DFT real-space Augmented Lagrangian Abstract Read more about Augmented Lagrangian formulation of Orbital-Free Density Functional TheoryLog in or register to post comments4701 views
Coarse-graining Kohn-Sham Density Functional Theory Submitted by Phanish Suryan… on Thu, 11/21/2013 - 23:03 research coarse-graining defects density functional theory Kohn-Sham Linear-scaling Gauss quadrature Article published in Journal of the Mechanics and Physics of Solids Read more about Coarse-graining Kohn-Sham Density Functional TheoryLog in or register to post comments3444 views
