Lectures & References

DFT

• Electronic band structure via tight-binding methods with application to graphene
• Electronic band structure via DFT methods with application to graphene
• Introduction to OpenMX linear-scaling DFT code
• Introduction to VASP plane-wave basis DFT code
• DFT applications in Physics and Chemistry and their technical aspects
• DFT and Magnetism Theory

References

• K. Capelle, A bird's-eye view of density-functional theory, arXiv:cond-mat/0211443.
• F. Giustino, Materials Modelling using Density Functional Theory: Properties and Predictions (Oxford University Press, Oxford, 2014).
• C. Fiolhais, F. Nogueira, and M. A. L. Marques, A Primer in Density Functional Theory (Springer-Verlag, Berlin, 2003). [PDF]
• D. J. Carrascal, J. Ferrer, J. C. Smith, and K. Burke, The Hubbard dimer: a density functional case study of a many-body problem, J. Phys.: Condens. Matter 27, 393001 (2015). [PDF]
• T. Zhang, N. Regnault, B. A. Bernevig, X. Dai, and H. Weng, O(N) ab initio calculation scheme for large-scale moiré structures, Phys. Rev. B 105, 125127 (2022). [PDF]

TDDFT

References

• M. E. Casida and M. Huix-Rotllant, Progress in time-dependent density-functional theory, Annu. Rev. Phys. Chem. 63, 287 (2012). [PDF]
• X. Li, N. Govind, C. Isborn, A. Eugene DePrince III, and K. Lopata, Real-time time-dependent electronic structure theory, Chem. Rev. 120, 9951 (2020). [PDF]
• K. Burke and J. Kozlowski, Lies my teacher told me about density functional theory: Seeing through them with the Hubbard dimer [PDF]

GW

References

• P. Romaniello, Hubbard dimer in GW and beyond [PDF]

Beyond DFT: GW and DMFT

• Introduction to many-body perturbation theory (GW) combined with dynamical mean field theory (DMFT)
• Ab initio many-body methods (LQSGW+DMFT, GW+EDMFT) applications in magnetism-related physics
• Toutorial on LQSGW+DMFT

References

• K. Held, Electronic structure calculations using dynamical mean field theory, Adv. Phys. 56, 829 (2007). [PDF]

Atomistic spin dynamics and micromagnetics

References

• C. Etz, L. Bergqvist, A. Bergman, A. Taroni, and O. Eriksson, Atomistic spin dynamics and surface magnons, J. Phys.: Condens. Matter 27, 243202 (2015). [PDF]
• R. F. L. Evans, W. J. Fan, P. Chureemart, T. A. Ostler, M. O. A. Ellis, and R. W. Chantrell, Atomistic spin model simulations of magnetic nanomaterials, J. Phys.: Condens. Matter 26, 103202 (2014). [PDF]