(Q57394976)

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Effect of spatial nonlocality on the density functional band gap

scholarly article in Physical Review B, vol. 74 no. 16, October 2006

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Effect of spatial nonlocality on the density functional band gap (English)

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Myrta Grüning

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Andrea Marini

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Andrea Marini

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2

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Ángel Rubio Secades

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Angel Rubio

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3

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English

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publication date

27 October 2006

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Physical Review B

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74

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16

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Self-Consistent Equations Including Exchange and Correlation Effects

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https://api.crossref.org/works/10.1103%2FPHYSREVB.74.161103

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21 January 2018

Density-Functional Theory for Fractional Particle Number: Derivative Discontinuities of the Energy

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21 January 2018

Generalization of the optimized-effective-potential model to include electron correlation: A variational derivation of the Sham-Schlüter equation for the exact exchange-correlation potential.

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21 January 2018

Electronic excitations: density-functional versus many-body Green’s-function approaches

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retrieved

21 January 2018

Density functionals from many-body perturbation theory: The band gap for semiconductors and insulators

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21 January 2018

Density-functional thermochemistry. III. The role of exact exchange

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21 January 2018

Energy band gaps and lattice parameters evaluated with the Heyd-Scuseria-Ernzerhof screened hybrid functional.

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21 January 2018

Good semiconductor band gaps with a modified local-density approximation

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21 January 2018

New Method for Calculating the One-Particle Green's Function with Application to the Electron-Gas Problem

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21 January 2018

Ground State of the Electron Gas by a Stochastic Method

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21 January 2018

Self-interaction correction to density-functional approximations for many-electron systems

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https://api.crossref.org/works/10.1103%2FPHYSREVB.74.161103

retrieved

21 January 2018

First-principles computation of material properties: the ABINIT software project

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21 January 2018

Special points for Brillouin-zone integrations

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reference URL

https://api.crossref.org/works/10.1103%2FPHYSREVB.74.161103

retrieved

21 January 2018

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DOI

10.1103/PHYSREVB.74.161103

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(Q57394976)

Effect of spatial nonlocality on the density functional band gap

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