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About Density Functional Theory
Density functional theory (DFT) is a quantum mechanical modeling method used to investigate the electronic structure of many-body systems like atoms, molecules, and condensed phases. DFT reduces the many-body problem into a problem of non-interacting electrons moving in an effective potential by using functionals of electron density. The Kohn-Sham approach maps the interacting system onto a fictitious non-interacting system with the same density. Approximations like the local density approximation (LDA) are used for the exchange-correlation functionals since the exact functionals are unknown except for the free electron gas.
Detailed Information
| Author: | ['Varov'] |
|---|---|
| Publication Year: | 2013 |
| Pages: | 9 |
| Language: | English |
| Format: | |
| Price: | FREE |
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