Lectures & References: Difference between revisions
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*[https://www.vasp.at/wiki/images/5/5d/VASP_lecture_Basics.pdf Introduction to VASP plane-wave basis 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/0/06/Dft_applications.pdf DFT applications in Physics and Chemistry and their technical aspects] | ||
*[https://wiki.physics.udel.edu/wiki_cmpb/images/c/c3/Dft_hand_on_h2o_relaxation.pdf | *[https://wiki.physics.udel.edu/wiki_cmpb/images/c/c3/Dft_hand_on_h2o_relaxation.pdf Hand-on H<sub>2</sub>O relaxation using VASP] | ||
*[https://wiki.physics.udel.edu/cmpb/File:H2O_vibration.zip Hand-on H<sub>2</sub>O vibration using VASP] | |||
===References=== | ===References=== | ||
Revision as of 08:37, 13 August 2024
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
- Hand-on H2O relaxation using VASP
- Hand-on H2O vibration using VASP
References
- K. Capelle, A bird's-eye view of density-functional theory, arXiv:cond-mat/0211443.
- 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]
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]
GW+DMFT
- Introduce 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 of LQSGW+DMFT
References
- K. Held, Electronic structure calculations using dynamical mean field theory, Adv. Phys. 56, 829 (2007). [PDF]
