Density Functional Theory: A Beginner's Guide
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YouTubeNicholas Pulliam, PhD
Density Functional Theory: A Beginner's Guide
Electronic Density: Density Functional Theory is a computational approach used in quantum mechanics to describe the behavior of electrons in a material. It focuses on the electron density, which represents the distribution of electrons in space. Energy Minimization: DFT aims to find the electronic configuration that minimizes the total energy ...
5.2K viewsAug 24, 2023
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