Exchange energy free electrons

For a free electron gas, it is possible to evaluate the Flartree-Fock exchange energy directly [3, 16]. The Slater detemiinant is constructed using ftee electron orbitals. Each orbital is labelled by a k and a spin index. The Coulomb... 

In case of the charged form of chemisorption a free lattice electron and chemisorbed particles get bound by exchange interaction resulting in localization of a free electron (or a hole) on the surface energy layer of adparticles which results in creation of a strong bond. Therefore, in case of adsorption of single valence atom the strong bond is formed by two electrons the valence electron of the atom and the free lattice electron. 

Van Vleck (80) illustrated how Eq. (73) can be identified in the energy expression of the two interacting electrons in a non-relativistic field-free framework. For such a system the contribution to the electron-electron interaction energy Ey comprises the Coulomb energy Jy and the exchange energy Ky,... 

Morrison [232,233] finds that the free energy of electrons in the bulk phase (Fermi energy) is about the same for different selective and active catalysts. He notes that this value is very near (or just above) the electron exchange level of oxygen and hence makes reduction of oxygen possible. 

There exists a whole number of approximate expressions for Vl(r) (see, for example [139]). The simplest, called the Thomas-Fermi potential, follows from the statistical model of an atom. Unfortunately, it leads to results of very low accuracy. More accurate is the Thomas-Fermi-Dirac model, in which an attempt is made to account for the exchange part of the potential energy of an electron in the framework of the free electron gas approach. Various forms of the parametric potential method are fairly widely utilized, particularly for multiply charged ions. Such potentials may look as follows [16] ... 

The two methods have a definite relation which comes from the fact that the structure of the molecule, and particularly its dimensions, is regulated by the value of the exchange energy. We thought it possible to specify this relation by using the essential peculiarity of the free-electron model, that is,. the elimination of all dynamic constants by the LCAO MO method. 

An alternative to the perturbation theory approach is the approximate method of Gordon and Kim.60 In this method the electron density is first calculated as the sum of the densities of the separate atoms and the energy is then obtained as the sum of a Coulomb term calculated exactly, and kinetic energy, exchange, and correlation terms calculated from the free electron gas model. Though it worked well for larger... 

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