Published on 18 Jun 2025, 15:39
In Density Functional Theory, the exchange correlation functional captures the complex relationship between its input—the electron density — and its output: the exchange-correlation energy. The electron density is represented as a large, irregular point cloud, where each point encodes local information such as the density itself and its gradient. An accurate functional must capture intricate non-local interactions across the electron density, at manageable computational cost.
Read more about DFT: microsoft.com/en-us/research/b...
Read more about DFT: microsoft.com/en-us/research/b...
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