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Multiple scattering treatment of the solvated electron in water
1.(a) J. C. Slater and K. H. Johnson, Phys. Rev. B 5, 844 (1972);
1.(b) J. C. Slater, Quantum Theory of Molecules and Solids (McGraw‐Hill, New York, 1974), Vol. 4.
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4.(c) See also Electrons in Fluids, edited by J. Jortner and N. R. Kestner (Springer‐Verlag, New York, 1973).
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8.(b) See also N. V. Cohen, G. Finkelstein, and M. A. Weissmann, Chem. Phys. Lett. 26, 93 (1974).
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15.(a) D. A. Liberman, Los Alamos Scientific Laboratory, Los Alamos, New Mexico (private communication);
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16.N. Rösch (private communication).
17.Another manifestation of this unreliability is the binding energy we calculate for an extra electron in the presence of the four water molecules (center to oxygen distance of 2.9 Å) in the absence of a dielectric This turns out to be some 96 kcal/mole, which is surely much too large. In fact, this complex is not believed to exist (A. Gaathon, G. Czapski, and J. Jortner, J. Chem. Phys. 58, 2648 (1973)).
18.K. H. Johnson, Adv. Quantum Chem. 7, 143 (1973).
19.Very roughly, they are where Q is the charge (of the excess electron) within the cavity.
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