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Electrons exchange energy

Pople and Beveridge [3] give a beautiful analysis of exchange, seldom written anywhere else, but we show the details in Appendix B. In the grand scheme of the detailed derivation you will be looking at energy terms like [Pg.373]


Fig. 7. Variation of the electron exchange energy for radical pairs during a random walk . Fig. 7. Variation of the electron exchange energy for radical pairs during a random walk .
Perdew, J. P., Wang, Y., 1986, Accurate and Simple Density Functional for the Electronic Exchange Energy Generalized Gradient Approximation , Phys. Rev. B, 33, 8800. [Pg.297]

SHORT-RANGE ELECTRON-EXCHANGE ENERGY TRANSFER... [Pg.105]

Figure 11.5 Diagrammatic explanation of the coulombic and electron exchange energy transfer mechanisms (A and B are chromophore components and L is a bridging moiety or ligand). Figure 11.5 Diagrammatic explanation of the coulombic and electron exchange energy transfer mechanisms (A and B are chromophore components and L is a bridging moiety or ligand).
Figure 2.14 Schematic representations of the mechanisms of photoinduced (a) electron transfer, (b) Dexter (electron-exchange) energy transfer, and (c) Fdrster (dipole-dipole) energy transfer mechanism processes in the supramolecular dyad A-L-B spheres represent electrons, while curved arrows indicate the directions of transfer... Figure 2.14 Schematic representations of the mechanisms of photoinduced (a) electron transfer, (b) Dexter (electron-exchange) energy transfer, and (c) Fdrster (dipole-dipole) energy transfer mechanism processes in the supramolecular dyad A-L-B spheres represent electrons, while curved arrows indicate the directions of transfer...
Perdew JP, Yue W (1986) Accurate and simple density functional for the electronic exchange energy Generalized gradient approximation, Phys Rev B, 33 8800-8802... [Pg.192]

Charge-transfer interactions are attractive forces caused by charge-transfer between an electron donor (with low ionic potential) and an electron acceptor (with high electron affinity)23). Therefore, the potential energy is expressed as shown in Table 1, where ID, Aa, and C denote the ionic potential of the electron donor, the electron affinity of the electron acceptor, the electron exchange energy, and a constant, respectively. [Pg.9]

Electronic exchange energy between two given atoms,... [Pg.645]

The first demonstration that /3-carotene could inhibit photosensitized oxidation and was, therefore, an efficient quencher of O was reported by Foote and Denny (1968). Wilkinson and Ho (1978) showed that quenching by electron exchange energy transfer to produce the carotenoid triplet state ( CAR) is the principal mechanism of carotenoid photoprotection against O ... [Pg.231]

The electron—electron repulsion energy describes the electron repulsion driven processes in the molecule and may be related to the conformational (rotational, inversional) changes or atomic reactivity in the molecule (2004MI10). Similar expressions for the electron exchange energy of the given atom or a pair of atoms are straightforward. For instance,... [Pg.251]


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See also in sourсe #XX -- [ Pg.88 ]




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