Thomas-Fermi Theory Revisited

Thomas-Fermi Theory of Fullerenes

We study C60 with the use of Thomas-Fermi theory. A spherical shell model is invoked to treat the nuclear potential, where the nuclear and core charges are smeared out into a shell of constant surface charge density. The valence electron distribution and the electrostatic potential are efficiently computed by integration of the Thomas-Fermi equation, subject to the shell boundary conditions. To...

Dipole Moments in Thomas-Fermi-Dirac and Thomas-Fermi Theories

Thomas–Fermi Approximation and Basics of the Density Functional Theory

As stated at the beginning of section 2.7 the total energy is a key function describing the basic physical and chemical properties of materials: the ground state. It consists of both kinetic (describing motion) and potential energy parts. To make a theoretical model realistic it is very important to incorporate all important contributions to both the parts of the total energy. In view of the bi...

The Thomas - Fermi - von Weizsacker Theory of Atoms and Molecules *

We place the Thomas-Fermi-von Weizsacker model of atoms on a firm mathematical footing. We prove existence and uniqueness of solutions of the Thomas-Fermi-von Weizsacker equation as well as the fact that they minimize the Thomas-Fermi-von Weizsacker energy functional. Moreover, we prove the existence of binding for two very dissimilar atoms in the frame of this model. Introduction The Thomas-Fe...

Caloric Curve for Finite Nuclei in Thomas-fermi Theory

In a finite temperature Thomas-Fermi theory with realistic nuclear interactions, we construct caloric curves for finite nuclei enclosed in a sphere of about 4− 8 times the normal nuclear volume. The specific heat capacity Cv shows a peaked structure that is possibly indicative of a liquid-gas phase transition in finite nuclear systems.