An electrostatic model based on charge density is proposed as a model for future force
fields. The model is composed of a nucleus and a single Slater-type contracted Gaussian …

Electric and magnetic multipole moments and polarizabilities are important quantities in
studies of intermolecular forces, non‐linear optical phenomena, electrostatic, magnetostatic …

A finite field method for calculating spherical tensor molecular polarizability tensors αlm; l′
m′=∂ Δlm/∂ ϕl′ m′* by numerical derivatives of induced molecular multipole Δlm with …

An implementation of the Hirshfeld (HD) and Hirshfeld-Iterated (HD-I) atomic charge density
partitioning schemes is described. Atomic charges and atomic multipoles are calculated …

SCELib is a computer program which implements the Single Center Expansion (SCE)
method to describe molecular electronic densities and the interaction potentials between a …

Three‐center electric multipole moment integrals over Slater‐type orbitals (STOs) can be
evaluated by translating the orbitals on one center to the other and reducing the system to …

Electric multipole moment integrals with the same screening parameters are calculated
using Slater type orbitals (STOs) translation formulae and the Fourier transform method …

This work presents a new method for the analytical evaluation of magnetic multipole moment
integrals (MMMIs) using Slater type orbitals (STOs), the Fourier transform method and some …