Accurate simulations of metals at the mesoscale: Explicit treatment of 1 million atoms with quantum mechanics

Chemical Physics Letters

Volumn 475, Issue 4-6, 2009, Pages 163-170

  Hung, Linda ^a   Carter, Emily A ^a,b  

^a PRINCETON UNIVERSITY   (United States)

^b Princeton University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; KINETIC ENERGY; KINETICS; QUANTUM THEORY;

CROSSOVER POINTS; DENSITY FUNCTIONALS; ELECTRON KINETIC ENERGY; EXPLICIT TREATMENTS; LINEAR SCALING; ORBITAL-FREE DENSITY FUNCTIONAL THEORY; QUASI-LINEAR; SYSTEM SIZE;

DENSITY FUNCTIONAL THEORY;

EID: 67649258774     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2009.04.059     Document Type: Article

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