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2016

2016

Using time-dependent orbital-free density functional theory, we perform quantum mechanical simulations to understand plasmonic…

2015

2015

The Euler equation of the orbital-free density functional theory is formulated with the specific Shannon and Fisher information…

2012

2012

We propose a density decomposition scheme using a Wang-Govind-Carter(WGC-) based kinetic energy density functional (KEDF) to…

2010

2010

An equation proposed by Levy, Perdew and Sahni (Phys. Rev. A 30:2745, 1984) is an orbital-free formulation of density functional…

Highly Cited

2010

Highly Cited

2010

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

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…

Highly Cited

2008

2006

2006

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

2005

2005

We introduce the orbital-free density functional theory local quasi-continuum\linebreak (OFDFT-LQC) method: a first-principles…

2003

2003

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