Exchange energy interpretation

Curie-Weiss behaviour from 309 to 83 K with a Weiss constant 6 s 10 K. The 3-carboxylate was studied in the range 275-4.2 K and the data were interpreted in terms of an antiferromagnetic interaction between silver ions using the Ising linear chain model. This gave an exchange energy of / = —30.8 1.0 cm-1 and g = 2.5 0.02 which was somewhat smaller than the experimentally determined (g) of 2.08.513... 

B. Physical interpretation of Kohn-Sham theory exchange energy functional and its derivative... 

B. PHYSICAL INTERPRETATION OF KOHN-SHAM THEORY EXCHANGE ENERGY FUNCTIONAL AND ITS DERIVATIVE... 

PHYSICAL INTERPRETATION OF THE LOW-ORDER POLARIZATION AND EXCHANGE ENERGIES... 

The polarization and exchange energies through the second order have an appealing physical interpretation. Except for the second-order exchange terms they can also be rigorously related to monomer properties which considerably facilitates their practical evaluation. 

A physical interpretation of the exchange energy associated with the Pauli principle can be advanced (see, for example, ref. 45). The spin correlation introduced by the antisymmetrization of the wavefunction means that, independently of the Coulomb repulsion, the probability of two electrons being close in space is smaller for electrons with the same spin than for... 

The exchange hole of an electron involves only electrons of the same spin and the probability vanishes, as it must, for finding two electrons of the same spin at the same point r = r. The exchange energy can be interpreted as the lowering of the Coulomb energy because of interaction of each electron with a positive exchange hole. 

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