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We report a study of the performance of density functional theory (DFT) methods in the prediction of electric properties for the ozone molecule. We have used a large, flexible basis set for the calculation of the dipole moment and the dipole (hyper)polarizability with the B1LYP, B3LYP, B3P86,...
In this paper we present a P-stable exponentially-fitted four-step method for the numerical solution of the radial Schr¨odinger equation. More specifically we present a method than satisfies the property of P-stability and in the same time integrates exactly any linear combination of the...
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