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2017

2017

AbstractThe formation and migration energies for various point defects, including vacancies and self-interstitials, in aluminium… Expand

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2015

2015

We propose a density functional theory of Thomas–Fermi–Dirac–von Weizsäcker type to describe the response of a single layer of… Expand

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2014

2014

We present an Augmented Lagrangian formulation and its real-space implementation for non-periodic Orbital-Free Density Functional… Expand

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2010

2010

We propose a nonlocal kinetic energy density functional KEDF for semiconductors based on the expected asymptotic behavior of its… Expand

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2009

2009

The core structure of screw and edge dislocations in fcc Al was investigated using orbital-free density functional theory (OF-DFT… Expand

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2008

2008

We present PROFESS (PRinceton Orbital-Free Electronic Structure Software), a new software package that performs orbital-free… Expand

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Review

2008

Review

2008

We give here an overview of the orbital-free density functional theory that is used for modeling atoms and molecules. We review… Expand

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2006

2006

We propose an approach to perform orbital-free density functional theory calculations in a non-periodic setting using the finite… Expand

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2006

2006

We consider the Thomas-Fermi-von Weizsacker energy functional, with the Wang-Teter correction, and present an efficient real… Expand

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2003

2003

We have used density functional theory in an orbital-free, implementation to calculate the properties of pure fcc Al, hcp and bcc… Expand

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