Answer:-
Density Functional Theory (DFT) is a quantum mechanical method used to study the electronic structure of atoms, molecules, and solids. It simplifies complex many-body problems by using electron density instead of wave functions, making calculations more efficient. DFT is widely used in chemistry, physics, and materials science to predict molecular properties, reaction mechanisms, and material behaviors. While highly useful, it has limitations, such as accuracy issues with weak interactions. Despite this, DFT remains a powerful tool for understanding and designing new materials, making it essential for modern computational science and engineering applications.
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