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salsero
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Does anyone know the basics of the local spin density approximation?
Originally posted by salsero
Does anyone know the basics of the local spin density approximation?
The local spin density approximation (LSDA) is a commonly used method in density functional theory (DFT) for calculating the electronic structure of a system. It assumes that the exchange-correlation energy of the electrons is only dependent on the electron density at a given point in space, rather than the entire electron density distribution.
The LSDA is a more approximate method compared to other DFT methods such as the generalized gradient approximation (GGA). It only considers the local electron density, whereas GGA takes into account the gradient of the electron density as well.
The LSDA can only accurately describe systems with slowly varying electron densities. It also does not account for non-local effects such as van der Waals interactions, which can be important in certain systems.
The LSDA is commonly used for systems with strong electron correlations, such as transition metal compounds and magnetic materials. It is also commonly used for calculations of bulk properties of materials.
The LSDA is implemented in electronic structure calculations by using a set of exchange-correlation functionals that approximate the exchange-correlation energy. These functionals are typically based on the local spin density approximation, but may also include additional terms to improve accuracy, such as the LSDA+U method for strongly correlated systems.