33 citations · 94 across the 27 of their papers we have counts for
5 papers · 1 filter
Electronic Structure and Dynamical Correlations in Antiferromagnetic BiFeO
Yihan Wu, Mario Caserta, Tommaso Chiarotti +1
We study the electronic structure and dynamical correlations in antiferromagnetic BiFeO, a prototypical room-temperature multiferroic, using a variety of static and dynamical f…
Self-consistent dynamical Hubbard functional for correlated solids
Tommaso Chiarotti, Matteo Quinzi, Andrea Pintus +3
Many-body functionals of the Green's function can provide fundamental advances in electronic-structure calculations, due to their ability to accurately predict both spectral and th…
Dynamical Hubbard approach to correlated materials: the case of transition-metal monoxides
Mario Caserta, Tommaso Chiarotti, Marco Vanzini +1
Electronic correlations beyond static mean-field theories are of fundamental importance in describing the properties of complex materials - such as transition-metal oxides - where…
Potential energy surfaces from many-body functionals: analytical benchmarks and conserving many-body approximations
Giovanna Lani, Nicola Marzari
We investigate analytically the performance of many-body energy functionals, derived respectively by Klein and Luttinger and Ward, at different levels of diagrammatic approximation…
Electronic structure of pristine and Ni-substituted LaFeO from near edge x-ray absorption fine structure experiments and first-principles simulations
Iurii Timrov, Piyush Agrawal, Xinyu Zhang +7
We present a joint theoretical and experimental study of the oxygen -edge spectra for LaFeO and homovalent Ni-substituted LaFeO (LaFeNiO), using fi…