Ab Initio Simulations of Semiconductor Surfaces and Interfaces

Author:

Calzolari Arrigo,Cicero Giancarlo,Catellani Alessandra

Publisher

Springer International Publishing

Reference149 articles.

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2. A.D. Becke: Perspective: Fifty years of density-functional theory in chemical physics, J. Chem. Phys. 140, 18A301 (2014)

3. W. Chen, A. Pasquarello: First-principles determination of defect energy levels through hybrid density functionals and GW, J. Phys.: Condens. Matter 27, 133202 (2015)

4. V.I. Anisimov, F. Aryasetiawan, A.I. Lichtenstein: First-principles calculations of the electronic structure and spectra of strongly correlated systems: The LDA + U method, J. Phys.: Condens. Matter 9(4), 767 (1997)

5. L.A. Agapito, S. Curtarolo, M. Buongiorno Nardelli: Reformulation of DFT+U as a pseudohybrid Hubbard density functional for accelerated materials discovery, Phys. Rev. X 5, 011006 (2015)

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