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Koopmans’ condition for density-functional theory

Published:2010-09-23 Issue:11 Volume:82 Page:
ISSN:1098-0121
Container-title:Physical Review B
language:en
Short-container-title:Phys. Rev. B

Author:

Dabo Ismaila,Ferretti Andrea,Poilvert Nicolas,Li Yanli,Marzari Nicola,Cococcioni Matteo

Publisher

American Physical Society (APS)

Subject

Condensed Matter Physics,Electronic, Optical and Magnetic Materials

Link

http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.82.115121/fulltext

Reference68 articles.

1. Iterative minimization techniques forab initiototal-energy calculations: molecular dynamics and conjugate gradients

2. Development and assessment of a short-range meta-GGA functional

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

4. Electronegativity: The density functional viewpoint

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