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Basic Introduction to Density Functional Theory (DFT), Ab Initio Methods, and Hybrid Functionals
Posted inCompChem DFT Science

Basic Introduction to Density Functional Theory (DFT), Ab Initio Methods, and Hybrid Functionals

Posted by By quantumsimmblogs.com 31 July 2024Posted inCompChem, DFT, ScienceTags: Ab Initio Methods, Accurate Molecular Properties, Benchmarking, Density Functional Theory, Exchange-Correlation, Hybrid Functionals, Strongly Correlated SystemsNo Comments
Introduction In the realm of computational chemistry and materials science, understanding the electronic structure of…
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