Category:Constrained-random-phase approximation: Difference between revisions

From VASP Wiki
Line 2: Line 2:


== Theoretical Background ==
== Theoretical Background ==
The constrained random phase approximation (CRPA) is a method that allows to calculate the effective interaction parameters U, J and J' for model Hamiltonians.  
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 states in the screened Coulomb interaction.
The main idea is to neglect screening effects of specific '''target states''' in the screened Coulomb interaction W of the [[The GW approximation of Hedin's equations|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 typically low-dimensional and therefore allows for the application of a higher level theory, such as dynamical mean field theory.


== How to ==
== How to ==

Revision as of 12:26, 6 April 2022

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 typically low-dimensional and therefore allows for the application of a higher level theory, such as dynamical mean field theory.

How to


Pages in category "Constrained-random-phase approximation"

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