Density-Functional Theory

Density-Functional Theory

by Trygve Helgaker
2/5

Density-functional theory (DFT) is a computational modelling tool used to describe molecules and materials.

Different functions are used to determine the properties of electrons and molecules in solids.

It is the most widely used method in electronic stru.

First published
2022
Publishers
Wiley & Sons· Limited· John
Subjects
Molecular structure·Electronic structure

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