Dipole moments in Thomas—Fermi—Dirac and Thomas—Fermi theories

J Goodisman

doi:10.1016/0009-2614(72)85082-6

Abstract

It is shown that the electronic contribution to the dipole moment, calculated from a solution to the Thomas—Fermi—Dirac or Thomas—Fermi equations, should be equal and opposite to the nuclear contribution. Thus, the Thomas—Fermi—Dirac and Thomas—Fermi theories predict vanishing dipole moments for all molecular systems.

Highlights

It is shown that the electronic contributiori to the dipok moment, calculated from 8 solution to the Thomas
We have been performing calcdations of molecular electronic charge distributions according to the Thomas- Fermi-Dirac theory
For the heteropolar diatomic moIecules we treated, we found an electric dipole moment of zero, within the estimated accuracy of our calculations

Summary

Introduction

It is shown that the electronic contributiori to the dipok moment, calculated from 8 solution to the Thomas-. Dipole moments in thomas-fermi-dirac and thomas-fermi theories. The Thomas-Fermi-Dirac and Thomas-Fermi theories predict vanishing: dipole moments for at[1] mokculrrr systems.

Results

Conclusion