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Extended Hiickel theory binding energies

In Eq. (10.9), is the overlap energy and S the corresponding overlap between adsorbate and surface atomic orbitals. Approximate Eq. (10.9) applies when ad molecule orbitals are s-symmetric and the metal electrons are also described by s-atomic orbital. Equation (10.9) is a familiar expression within molecular orbital theory and is deduced from tight binding theory including overlap of the atomic orbitals as in extended Hiickel theory (Hoffmann) is used [9]. [Pg.289]


See other pages where Extended Hiickel theory binding energies is mentioned: [Pg.823]    [Pg.90]    [Pg.103]    [Pg.516]    [Pg.147]    [Pg.26]    [Pg.85]    [Pg.109]    [Pg.193]    [Pg.77]    [Pg.106]    [Pg.118]    [Pg.98]    [Pg.7]    [Pg.668]    [Pg.292]    [Pg.22]   
See also in sourсe #XX -- [ Pg.85 ]




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