Electronic structure calculations using dynamical mean field theory

K Held - Advances in physics, 2007 - Taylor & Francis
The calculation of the electronic properties of materials is an important task of solid-state
theory, albeit particularly difficult if electronic correlations are strong, eg, in transition metals …

Hydrogen in actinides: electronic and lattice properties

L Havela, D Legut, J Kolorenč - Reports on Progress in Physics, 2023 - iopscience.iop.org
Hydrides of actinides, their magnetic, electronic, transport, and thermodynamic properties
are discussed within a general framework of H impact on bonding, characterized by volume …

Fluctuating valence in a correlated solid and the anomalous properties of δ-plutonium

JH Shim, K Haule, G Kotliar - Nature, 2007 - nature.com
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 …

Electronic structure of strongly correlated materials

VI Anisimov - AIP Conference Proceedings, 2010 - pubs.aip.org
Narrow band materials (transition metals and rare‐earth elements compounds) often reveal
anomalous physical properties. Their electronic structure is strongly renormalized by …

Theory of bulk and surface quasiparticle spectra for Fe, Co, and Ni

A Grechnev, I Di Marco, MI Katsnelson… - Physical Review B …, 2007 - APS
The correlated quasiparticle band structure of iron, cobalt, and nickel is investigated within
the dynamical mean-field theory formalism using the recently developed full-potential linear …

[BOOK][B] Plutonium handbook

DL Clark, DA Geeson, RJ Hanrahan - 2019 - researchgate.net
This chapter discusses key aspects related to the assessment of the environmental impact of
plutonium, such as sources, speciation, and underlying processes important for ecosystem …

Site-selective electronic correlation in α-plutonium metal

JX Zhu, RC Albers, K Haule, G Kotliar… - Nature communications, 2013 - nature.com
An understanding of the phase diagram of elemental plutonium (Pu) must include both, the
effects of the strong directional bonding and the high density of states of the Pu 5 f electrons …

Computational modeling of actinide materials and complexes

P Söderlind, G Kotliar, K Haule, PM Oppeneer… - MRS bulletin, 2010 - cambridge.org
In spite of being rare, actinide elements provide the building blocks for many fascinating
condensed-matter systems, both from an experimental and theoretical perspective …

On the electronic configuration in Pu: spectroscopy and theory

JG Tobin, P Söderlind, A Landa… - Journal of Physics …, 2008 - iopscience.iop.org
Photoelectron spectroscopy, synchrotron-radiation-based x-ray absorption, electron energy
loss spectroscopy, and density-functional calculations within the mixed-level and magnetic …

Elastic properties of Pu metal and Pu-Ga alloys

P Söderlind, A Landa, JE Klepeis, Y Suzuki… - Physical Review B …, 2010 - APS
We present elastic properties, theoretical and experimental, of Pu metal and Pu-Ga (δ)
alloys together with ab initio equilibrium equation of state for these systems. For the …