This is a work in progress to calculate photocurrents for transition metal-ligand planar clusters shown in the figure below in a tight-binding framework. ARPES matrix elements are calculating using hydrogenic orbitals.

Details about this web application can be found here.

I have assumed a work function for Cu=4.46 eV

The process is:

(1) Click **set parameters**.

(2) Click **calculate**.

(3) Click **plot bands** to plot ARPES bands through specified cuts.

(5) Click **plot DOS** to plot DOS.

(6) Click **plot contour** to plot spectral function at fixed energy.

(7) Click **ARPES datafile** to download ARPES datafile.

This can be repeated as many times as you wish.

* Things to be added:*

cell basis

point group symmetry