Related Experiment Video
Updated: Jun 8, 2026

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
Published on: May 27, 2020
Calculation of multicenter electric field gradient integrals over Slater-type orbitals using unsymmetrical one-range
Israfil I Guseinov1, Nurşen Seçkin Görgün
1Department of Physics, Faculty of Arts and Sciences, Onsekiz Mart University, Çanakkale, Turkey.
Abstract:
The electric field induced within a molecule by its electrons determines a whole series of important physical properties of the molecule. In particular, the values of the gradient of this field at the nuclei determine the interaction of their quadrupole moments with the electrons. Using unsymmetrical one-range addition theorems introduced by one of the authors, the sets of series expansion relations for multicenter electric field gradient integrals over Slater-type orbitals in terms of multicenter charge density expansion coefficients and two-center basic integrals are presented. The convergence of the series is tested by calculating concrete cases for different values of quantum numbers, parameters and locations of orbitals.
Related Concept Videos
Substitutions in Multiple Integrals
Second Uniqueness Theorem
In contrast, consider that the electric field is non-unique and apply Gauss's law in divergence form in the region between the conductors and the integral form to the surface...
Gauss's Law: Problem-Solving
Determining Electric Field From Electric Potential
In general, regardless of whether the electric field is uniform, it points in the direction of decreasing potential because the force on a positive...
Trigonometric Substitution
Poisson's And Laplace's Equation

