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Orbital-free linear-scaling DFT<br />
• Directly propose an approximate energy functional of<br />
the density<br />
• Difficulty: Kinetic energy functional. No ψ<br />
KS<br />
n for<br />
(and local pseudopotentials)<br />
• Linear scaling & extremely efficient<br />
(as empirical potentials)<br />
T = " h2<br />
2<br />
occ<br />
%<br />
n<br />
# 2 $ n<br />
• Simple metals<br />
!<br />
Paul Madden, Emily Carter & collaborators
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