Open susilehtola opened 12 months ago
In Int. J. Quantum Chem. 34, 55 (1988), Savin employs a partitioning where the atomic weight is given by
$$ w_A({\bf r}) = z_A \zeta_A^3 \exp(-\zeta_A r) $$
where $\zeta_A = Z_A$ "is a reasonable choice".
This partitioning is already available in CRYSTAL.
In Int. J. Quantum Chem. 34, 55 (1988), Savin employs a partitioning where the atomic weight is given by
$$ w_A({\bf r}) = z_A \zeta_A^3 \exp(-\zeta_A r) $$
where $\zeta_A = Z_A$ "is a reasonable choice".
This partitioning is already available in CRYSTAL.