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Calculations of Hubbard<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>U</mml:mi></mml:math>from first-principles

Calculations of Hubbard<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>U</mml:mi></mml:math>from first-principles

The Hubbard $U$ of the $3d$ transition metal series as well as $\mathrm{Sr}\mathrm{V}{\mathrm{O}}_{3}$, $\mathrm{Y}\mathrm{Ti}{\mathrm{O}}_{3}$, Ce, and Gd has been estimated using a recently proposed scheme based on the random-phase approximation. The values obtained are generally in good accord with the values often used in model calculations but for some cases …