152 citations · 328 across the 8 of their papers we have counts for
4 papers · 1 filter
Calculated Exchange Interactions and Sensitivity of Ni Two-Hole Spin State to Hund's Coupling in Doped NdNiO2
Xiangang Wan, Vsevolod Ivanov, Giacomo Resta +2
Using density functional based LDA+U method and linear-response theory, we study the magnetic exchange interactions of the superconductor Nd{1-x}Sr{x}NiO2. Our calculated nearest-n…
Hybridization effect on the X-ray absorption spectra for actinide materials: Application to PuB
Wei-ting Chiu, Roxanne M. Tutchton, Giacomo Resta +5
Studying the local moment and 5-electron occupations sheds insight into the electronic behavior in actinide materials. X-ray absorption spectroscopy (XAS) has been a powerful to…
Local Self-Energies for V and Pd Emergent from a Non-Local LDA+FLEX Implementation
Sergey Y. Savrasov, Giacomo Resta, Xiangang Wan
In the spirit of recently developed LDA+U and LDA+DMFT methods we implement a combination of density functional theory in its local density approximation (LDA) with a - and …
Pressure Effects on the 4f Electronic Structure of Light Lanthanides
W. -T. Chiu, D. R. Mortensen, M. J. Lipp +7
Using the satellite structure of the line in non-resonant x-ray emission spectra, we probe the high-pressure evolution of the bare 4f signature of the early light lan…