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 …
theory, albeit particularly difficult if electronic correlations are strong, eg, in transition metals …
Hydrogen in actinides: electronic and lattice properties
Hydrides of actinides, their magnetic, electronic, transport, and thermodynamic properties
are discussed within a general framework of H impact on bonding, characterized by volume …
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
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 …
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 …
anomalous physical properties. Their electronic structure is strongly renormalized by …
Theory of bulk and surface quasiparticle spectra for Fe, Co, and Ni
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 …
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 …
plutonium, such as sources, speciation, and underlying processes important for ecosystem …
Site-selective electronic correlation in α-plutonium metal
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 …
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
In spite of being rare, actinide elements provide the building blocks for many fascinating
condensed-matter systems, both from an experimental and theoretical perspective …
condensed-matter systems, both from an experimental and theoretical perspective …
On the electronic configuration in Pu: spectroscopy and theory
Photoelectron spectroscopy, synchrotron-radiation-based x-ray absorption, electron energy
loss spectroscopy, and density-functional calculations within the mixed-level and magnetic …
loss spectroscopy, and density-functional calculations within the mixed-level and magnetic …
Elastic properties of Pu metal and Pu-Ga alloys
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 …
alloys together with ab initio equilibrium equation of state for these systems. For the …