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19962019
most citedTheoretical calculations on the structural, electronic and optical properties of bulk silver nitrides

13 citations · 52 across the 15 of their papers we have counts for

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Showing 2011 · cond-mat.mtrl-sciShow all

6 papers · 2 filters

cond-mat.mtrl-sci2011★ 1 cited

Functional relations for the density functional exchange and correlation functionals connecting functionals at three densities

Daniel P. Joubert

It is shown that the DFT exchange and correlation functionals satisfy an expression that couples exchange and correlation functionals and functional derivatives evaluated at three…

cond-mat.mtrl-sci2011

Identity for the second functional derivative of the density functional Hartree plus exchange-correlation functional

Daniel P. Joubert

It is shown that the integral of the product of the charge density difference of the N- and (N-1)-electron densities of the same Hamiltonian and the second functional derivative of…

cond-mat.mtrl-sci2011

Identity for the DFT correlation functional

Daniel P. Joubert

It is shown that the electron density functional correlation functional satisfies an equation that links the N-electron and (N-1)-electron densities of the same adiabatically scale…

cond-mat.mtrl-sci2011★ 1 cited

Identities for density functionals linking functionals of different densities

Daniel P. Joubert

In electron density functional theory formal properties of density functionals play an important role in constructing and testing approximate functionals. In this paper it is shown…

cond-mat.mtrl-sci2011★ 1 cited

Equation satisfied by electron-electron mutual Coulomb repulsion energy density functional

Daniel P. Joubert

The electron-electron mutual Coulomb repulsion energy density functional satisfies an equation that links functionals and functional derivatives at N-electron and (N-1)-electron de…

cond-mat.mtrl-sci2011

The relationship between the density functional Hartree-plus-exchange-correlation potential for an integer N-electron and (N-1)-electron system

Daniel P. Joubert

It is shown that the Hartree-plus-exchange-correlation density functional potential for an integer N-electron system differs by a constant form the corresponding potential for an (…