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Schrodinger equation robustness

The first is the direct calculation of polarization effects without the use of empirical values of a. Polarizability alone is not sufficient to achieve chemical accuracy better results can be obtained by using group polarizabilities (and hyperpolarizabilities) at the cost, however, of a proliferation in the number of parameters of dubious quality. The direct quantum mechanical calculation avoids these problems and introduces a new dimension to the model. The Schrodinger equation is, in fact, no longer linear this leads to a refinement of the model (We remark that in the Onsager formulation there was no influence on R of the polarizability enhancement of the solute dipole. This was introduced in 1938 by Bottcher [13], but was limited to the original dipole-only model.) and opens the way to robust extensions of the model to nonequilibrium problems. [Pg.40]

We seek a robust approximation scheme that will approach the solutions of the time-independent Schrodinger equation... [Pg.76]


See other pages where Schrodinger equation robustness is mentioned: [Pg.254]    [Pg.310]    [Pg.599]    [Pg.100]    [Pg.384]    [Pg.314]    [Pg.6]    [Pg.113]    [Pg.459]    [Pg.326]    [Pg.99]    [Pg.120]    [Pg.701]   
See also in sourсe #XX -- [ Pg.219 ]




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