A complete computational approach for calculating molecular properties involving any element in the periodic table
This article accounts some of the recent advances in the development of ab initio methods for the calculation of molecular response properties, involving electric, magnetic, and geometric perturbations.
Feature article
The ab initio calculation of molecular electric, magnetic and geometric properties
Radovan Bast, Ulf Ekström, Bin Gao, Trygve Helgaker, Kenneth Ruud and Andreas J. Thorvaldsen
Phys. Chem. Chem. Phys., 2011, DOI: 10.1039/C0CP01647K
