title: Relativistic calculation of nuclear magnetic shielding tensor including two-electron spin-orbit interactions.
abstract: A relativistic calculation of nuclear magnetic shielding tensor including two-electron spin-orbit interactions is performed. In order to reduce the computational load in evaluating the two-electron relativistic integrals, the charge density is approximated by a linear combination of the squares of s-type spatial basis functions. Including the two-electron spin-orbit interaction effect is found to improve the calculation results.
authors.affiliation: Kitami Institute of Technology, 165 Koencho, Kitami 090-8507, Japan.
authors.forename: Y
authors.initials: Y
authors.lastname: Ootani
authors.forename: H
authors.initials: H
authors.lastname: Yamaguti
authors.forename: H
authors.initials: H
authors.lastname: Maeda
authors.forename: H
authors.initials: H
authors.lastname: Fukui