I am interested in the quantum transport and the electronic properties of Graphene and nano-scale materials. What is the best way to learn the basics of DFT?
See
https://www.researchgate.net/post/What_are_some_good_resource_for_learning_about_density_functional_theory
https://www.researchgate.net/post/What_is_the_best_way_to_DFT_Density_Functional_Theory_for_beginners
You may follow these articles.
https://www.sciencedirect.com/science/article/pii/S0370157314002075
https://pubs.acs.org/doi/abs/10.1021/cr200107z
https://pubs.acs.org/doi/abs/10.1021/cr200148b
Thanks.
Maybe the following books will help you:
- E.R. Johnson, A.D. Becke (Eds.), Density functionals: Thermochemistry, Springer, Cham, 2015
- C.J. Cramer, Essentials of computational chemistry: Theories and models, 2nd ed., Wiley, Chichester, 2004
- F. Giustino, Materials modelling using density functional theory: Properties and predictions, Oxford University Press, Oxford, 2014
Mr. Ahmed,
Here:
https://onlinelibrary.wiley.com/doi/book/10.1002/0470845015
Thanks all
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