Skip to content

Implements the expressions for combining the Newns-Anderson model with the Hammer-Norskov for the orthogonalisation term

License

Notifications You must be signed in to change notification settings

sudarshanv01/catchemi

Repository files navigation

catchemi

Python package for performing calculations incorporating the Newns-Anderson model of chemisorption with the different orthogonalization terms. See here for more details about the implementation.

Installation

The package can be installed using pip:

pip install .

(Optional) Install requirements for development

pip install .[dev] 

(Optional) Install requirements for documentation

pip install .[docs] 

About

Implements the expressions for combining the Newns-Anderson model with the Hammer-Norskov for the orthogonalisation term

Resources

License

Stars

Watchers

Forks

Releases

No releases published

Packages

 
 
 

Languages