Authors

I.V. Popov and A.L. Tchougréeff

Introduction

GoGreenGo is a package allowing various manipulations with Green's functions stemming from tight binding solid state physics and chemistry packages written by I.V. Popov and A.L. Tchougréeff.
Programming uses our library CARTESIUS_FORT.

The GoGreenGo package addresses several important issues not covered by the standard modeling software:

1. calculation of local (point-like) perturbation operators characteristic for impurity problems in the crystals and surface absorption problems;
2. solution of the Dyson equations for the above perturbations;
3. density matrix corrections in the substrate due to the presence of impurities/adsorbate;
4. perturbative treatment of the states of the strongly correlated impurities (EHCFfor infinite crystals and impurities in these);
5. and many other goodies...

The unperturbed Green's function may come either from our ΘΦ code or from the first-principles estimates of the corresponding functions derived from the standard DFT calculations through the mediation of the friendly LOBSTER package.

Resources:

Publications: when using this program please quote

1. In preparation