Exchange-Correlation Functionals [Explained for Beginners]
The Kohn-Sham approach in density functional theory (DFT) is a true game-changer in tackling the intricate many-body problems of quantum mechanics. By introducing…
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Tag: quantum mechanics
Decoding Binding Energy, Cohesive Energy, and Formation Energy in First Principles Calculations
First-principles calculations, also known as ab initio calculations, are indispensable tools in understanding the properties and behavior of materials at the atomic and…
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