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Ish: Curvature-enhanced spin polarization and dimensionality-dependent electronic reconstruction in Fe-doped SiC nanostructures: a DFT+U investigation
Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof
Maqola1996196 iqtibosABISpecial points for Brillouin-zone integrations
Hendrik J. Monkhorst, J.D. Pack
Maqola197675 iqtibosABISelf-Consistent Equations Including Exchange and Correlation Effects
MaqolaOchiq kirish196559 iqtibosABIQuantumATK: an integrated platform of electronic and atomic-scale modelling tools
Søren Smidstrup, Troels Markussen, Pieter Vancraeyveld +19
MaqolaOchiq kirish20199 iqtibosABIHubbard-corrected DFT energy functionals: The LDA+U description of correlated systems
Burak Himmetoḡlu, Andrea Floris, Stefano de Gironcoli +1
MaqolaOchiq kirish20136 iqtibosABILinear response approach to the calculation of the effective interaction parameters in the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>LDA</mml:mi><mml:mo>+</mml:mo><mml:mi mathvariant="normal">U</mml:mi></mml:mrow></mml:math>method
Matteo Cococcioni, Stefano de Gironcoli
MaqolaOchiq kirish20053 iqtibosABI