A review of the basic ideas and techniques of the spectral density-functional theory is
presented. This method is currently used for electronic structure calculations of strongly …

Actinide elements produce a plethora of interesting physical behaviors due to the 5 f states.
This review compiles and analyzes progress in the understanding of the electronic and …

This book emerged from a course on density functional theory (DFT), first given at the
University of Munich more than a decade ago. The course was based on the classic texts by …

Given the practical importance of metallic plutonium, there is considerable interest,, in
understanding its fundamental properties. Plutonium undergoes a 25 per cent increase in …

The aim of this book is to review recent achievements in thetheoretical investigations of the
electronic structure, optical, magneto-optical (MO), and x-ray magnetic circular dichroism …

Although the nuclear properties of the late actinides (plutonium, americium and curium) are
fully understood and widely applied to energy generation, their solid-state properties do not …

We constructed computer-based simulations of the lattice dynamical properties of plutonium
using an electronic structure method, which incorporates correlation effects among the f …

Many theories published in the last decade propose that either ordered or disordered local
moments are present in elemental plutonium at low temperatures. We present new …

Correlation effects are important for making predictions in the δ phase of Pu. Using a
realistic treatment of the intra-atomic Coulomb correlations we address the long-standing …

By the local density approximation with on-site Coulomb repulsion U (LDA+ U) method with
spin-orbit coupling (LDA+ U+ SO) the magnetic state and electronic structure have been …