36 citations · 50 across the 4 of their papers we have counts for
4 papers
Towards a Common Format for Computational Material Science Data
Luca M. Ghiringhelli, Christian Carbogno, Sergey Levchenko +5
Information and data exchange is an important aspect of scientific progress. In computational materials science, a prerequisite for smooth data exchange is standardization, which m…
Onset of Magnetic Order in Strongly-Correlated Systems from ab initio Electronic Structure Calculations: Application to Transition Metal Oxides
I. D. Hughes, M. Daene, A. Ernst +5
We describe an ab initio theory of finite temperature magnetism in strongly-correlated electron systems. The formalism is based on spin density functional theory, with a self-inter…
Pressure Induced Valence Transitions in f-Electron Systems
W. M. Temmerman, A. Svane, L. Petit +3
A review is given of pressure induced valence transitions in f-electron systems calculated with the self-interaction corrected local spin density (SIC-LSD) approximation. These cal…
Multiplet Structures of Charged Fullerenes
Malgorzata Wierzbowska, Martin Lueders, Erio Tosatti
We calculated multiplet splittings for positively and negatively charged fullerene ions within the CAS SCF method, and extracted model parameters for the intramolecular Hamiltonian…