most citedElectronic structure and spectral properties of Am, Cm and Bk: Charge density self-consistent LDA+HIA calculations in FP-LAPW basis

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cond-mat.mtrl-sci2009★ 42 cited

Electronic structure and spectral properties of Am, Cm and Bk: Charge density self-consistent LDA+HIA calculations in FP-LAPW basis

Alexander B. Shick, Jindrich Kolorenč, Alexander I. Lichtenstein +1

We provide a straightforward and numerically efficient procedure to perform local density approximation + Hubbard I (LDA+HIA) calculations, including self-consistency over the char…