# chemtools.toolbox.conceptuallocal.BaseLocalTool¶

class chemtools.toolbox.conceptuallocal.BaseLocalTool(density_zero, density_plus, density_minus, n0)[source]

Base class of local conceptual DFT reactivity descriptors.

Initialize class.

Parameters: density_zero (np.ndarray) – Electron density of $$N_0$$-electron system, i.e. $$\rho_{N_0}\left(\mathbf{r}\right)$$. density_plus (np.ndarray) – Electron density of $$(N_0 + 1)$$-electron system, i.e. $$\rho_{N_0 + 1}\left(\mathbf{r}\right)$$. density_minus (np.ndarray) – Electron density of $$(N_0 - 1)$$-electron system, i.e. $$\rho_{N_0 - 1}\left(\mathbf{r}\right)$$. n0 (float) – Reference number of electrons, i.e. $$N_0$$, which corresponds to the integral of density_zero over all space.
n0

Reference number of electrons, i.e. $$N_0$$, corresponding to density_zero.

density_zero

Electron density of $$N_0$$-electron system $$\rho_{N_0}(\mathbf{r})$$.

density_plus

Electron density of $$(N_0+1)$$-electron system $$\rho_{N_0+1}(\mathbf{r})$$.

density_minus

Electron density of $$(N_0-1)$$-electron system $$\rho_{N_0-1}(\mathbf{r})$$.