picture of the charge transfer

[David1986]

Hi
I want to see picture of the charge transfer,  I calculate Mulliken populations, but I can't see picture of the charge transfer

[Jess Wellendorff]

Sounds like you need to compute the Muilliken population for the system both before and after charge transfer, and then subtract one from the other.

[David1986]

Sir, I think I am looking for picture of charge density difference, like attached photos, in ATK we have electron difference density, are them same? how can get these pictures in ATK?

[Petr Khomyakov]

You can calculate the electron difference density in ATK, see the corresponding definition at https://docs.quantumwise.com/manuals/ATKDFT.html.

If you calculate the charge redistribution in a system due to whatever perturbation, you may also calculate the difference between the electron density of the perturbed and unperturbed systems, using the Grid Operation plugin as demonstrated at https://docs.quantumwise.com/tutorials/atk_transport_calculations/atk_transport_calculations.html, or the difference between the electron density of the system and that if its constituents, e.g., if you are interested in charge redistribution at the interface or contact between two structures.

[Ashley.amanta@gmail.com]

Hi
I have this problem and need these images,too.
Unfortunately I could not get and find them.
I want to get the same images for the sensor,please help me who can I get them?

[Petr Khomyakov]

I do not understand what you are asking for.