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Density Functional Theory: A Beginner's Guide

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 ...

5.3K viewsAug 24, 2023

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