Category:Constrained-random-phase approximation

From VASP Wiki

All tags and articles that deal with CRPA calculations are members of this category.

Theoretical Background

The constrained random-phase approximation (CRPA) is a method that allows to calculate the effective interaction parameter U, J and J' for model Hamiltonians. The main idea is to neglect screening effects of specific target states in the screened Coulomb interaction W of the GW method. The resulting partially screened Coulomb interaction is usually evaluated in a localized basis that spans the target space and is described by the model Hamiltonian. The target space is usually low-dimensional and therefore allows for the application of a higher level theory, such as dynamical mean field theory.

More information about CRPA is found on following page:

Constrained–random-phase–approximation_formalism

How to


Pages in category "Constrained-random-phase approximation"

The following 7 pages are in this category, out of 7 total.