The electronic structure, Fermi surface, angle dependence of the cyclotron masses and extremal cross sections of the Fermi surface of RIn₃ (R = Y, Lu, and Yb) compounds were investigated from first principles using the ...

Occupation numbers of natural orbitals capture the physics of strong electron correlations in momentum space. A natural orbital density functional theory based on the antisymmetrized geminal product provides these occupation ...

Проведены расчеты из первых принципов электронной структуры и ряда термодинамических характеристик слоистых магнитных сверхпроводников систем RNi₂B₂C, RFe₄Al₈ и FeSe в нормальной фазе. Выполнен анализ электронных состояний ...