L. Petit

Electronic structure and ionicity of actinide oxides from first principles

The ground-state electronic structures of the actinide oxides

Electronic structure of half-metallic double perovskites

Atext{O}

Pressure‐Induced Valence Transitions in Rare Earth Chalcogenides and Pnictides

,

Rare earth monopnictides and monochalcogenides from first principles: towards an electronic phase diagram of strongly correlated materials

{A}_{2}{text{O}}_{3}

Ab initio Study of Charge Order in Fe3O4

, and

Valencies in actinides

A{text{O}}_{2}

Ab initio charge, spin and orbital energy scales in LaMnO3

(

Simple rules for determining valencies of f-electron systems

A=text{U}

Ab initio determination of the localized/delocalized f-manifold in UPd2Al3

, Np, Pu, Am, Cm, Bk, and Cf) are determined from first-principles calculations, using the self-interaction corrected local spin-density approximation. Emphasis is put on the degree of

Chapter 241 The Dual, Localized or Band‐Like, Character of the 4f‐States

f