Lectures & References: Difference between revisions
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==DFT== | ==DFT== | ||
*[https://wiki.physics.udel.edu/phys824/Band_structure_of_graphene,_massless_Dirac_fermions_as_low-energy_quasiparticles,_Berry_phase,_and_all_that Electronic band structure | *[https://wiki.physics.udel.edu/phys824/Band_structure_of_graphene,_massless_Dirac_fermions_as_low-energy_quasiparticles,_Berry_phase,_and_all_that Electronic band structure via tight-binding methods with application to graphene] | ||
*[https://wiki.physics.udel.edu/wiki_phys824/images/b/b9/Intro_dft.pdf Introduction to DFT | *[https://wiki.physics.udel.edu/wiki_phys824/images/b/b9/Intro_dft.pdf Electronic band structure via DFT methods with application to graphene] | ||
*[https://wiki.physics.udel.edu/ | *[https://t-ozaki.issp.u-tokyo.ac.jp/lectures-2023/OpenMX_Tutorial.pdf Introduction to OpenMX linear-scaling DFT code] | ||
*[https://www.vasp.at/wiki/images/5/5d/VASP_lecture_Basics.pdf Introduction to VASP plane-wave basis DFT code] | |||
*[https://wiki.physics.udel.edu/wiki_cmpb/images/0/06/Dft_applications.pdf DFT applications in Physics and Chemistry and their technical aspects] | |||
*[https://wiki.physics.udel.edu/wiki_cmpb/images/b/ba/DFT_and_Magnetism_theory.pdf DFT and Magnetism Theory] | |||
===References=== | ===References=== | ||
*K. Capelle, ''A bird's-eye view of density-functional theory'', [https://arxiv.org/pdf/cond-mat/0211443 arXiv:cond-mat/0211443]. | *K. Capelle, ''A bird's-eye view of density-functional theory'', [https://arxiv.org/pdf/cond-mat/0211443 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). [https://link.springer.com/book/10.1007/3-540-37072-2 [PDF]] | *C. Fiolhais, F. Nogueira, and M. A. L. Marques, ''A Primer in Density Functional Theory'' (Springer-Verlag, Berlin, 2003). [https://link.springer.com/book/10.1007/3-540-37072-2 [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). [https://iopscience.iop.org/article/10.1088/0953-8984/27/39/393001 [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). [https://doi.org/10.1103/PhysRevB.105.125127 [PDF]] | |||
==TDDFT== | |||
===References=== | |||
*M. E. Casida and M. Huix-Rotllant, ''Progress in time-dependent density-functional theory'', Annu. Rev. Phys. Chem. '''63''', 287 (2012). [https://www.annualreviews.org/content/journals/10.1146/annurev-physchem-032511-143803 [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). [https://pubs.acs.org/doi/full/10.1021/acs.chemrev.0c00223 [PDF]] | |||
* K. Burke and J. Kozlowski, ''Lies my teacher told me about density functional theory: Seeing through them with the Hubbard dimer'' [https://www.cond-mat.de/events/correl21/manuscripts/burke.pdf [PDF]] | |||
==GW== | ==GW== | ||
| Line 13: | Line 26: | ||
*P. Romaniello, ''Hubbard dimer in GW and beyond'' [https://www.cond-mat.de/events/correl21/manuscripts/romaniello.pdf [PDF]] | *P. Romaniello, ''Hubbard dimer in GW and beyond'' [https://www.cond-mat.de/events/correl21/manuscripts/romaniello.pdf [PDF]] | ||
==DMFT== | ==Beyond DFT: GW and DMFT== | ||
*[https://wiki.physics.udel.edu/wiki_cmpb/images/0/03/Intro_manybody.pdf Introduction to many-body perturbation theory (GW) combined with dynamical mean field theory (DMFT)] | |||
*[https://wiki.physics.udel.edu/wiki_cmpb/images/4/49/Manybody_applications.pdf Ab initio many-body methods (LQSGW+DMFT, GW+EDMFT) applications in magnetism-related physics] | |||
*[https://wiki.physics.udel.edu/wiki_cmpb/images/4/4e/Lqsgw%2Bdmft_tutorial_NiO.pdf Toutorial on LQSGW+DMFT] | |||
===References=== | |||
*K. Held, ''Electronic structure calculations using dynamical mean field theory'', Adv. Phys. '''56''', 829 (2007). [https://www.tandfonline.com/doi/full/10.1080/00018730701619647 [PDF]] | |||
==Atomistic spin dynamics and micromagnetics== | |||
===References=== | ===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). [https://iopscience.iop.org/article/10.1088/0953-8984/27/24/243202 [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). [https://iopscience.iop.org/article/10.1088/0953-8984/26/10/103202/pdf [PDF]] | |||
Latest revision as of 11:42, 18 January 2025
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]
