Figure 4
From: Neural network interpolation of exchange-correlation functional
The results of applying NN XC functionals to the self-consistent electron density obtained from solving the Schrodinger equation in the framework of DFT for a benzene molecule. The LDA and GGA “true” Vxc results are procuced by the Octopus package. All presented images are slices of 3D data in the plane of the benzene molecule; (a) - the slice of the electron density obtained in the DFT calculation using LDA XC funtional, (b) - the slice of the XC potential obtained in the same as (a) DFT calculation using LDA XC functional, (c) - the slice of the NN XC potential obtained from the (a) electron density, (d) - the slice of the electron density obtained in the DFT calculation using GGA XC funtional, (e) - the slice of the XC potential obtained in the same as (d) DFT calculation using GGA XC functional, (f) - the slice of the NN XC potential obtained from the (d) electron density.
