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20092026
most citedMultipole decomposition of LDA+ energy and its application to actinides compounds

119 citations · 616 across the 22 of their papers we have counts for

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10 papers · 1 filter

cond-mat.str-el2026

Ultrafast electron crystallography reveals the atomic pathway of a light-driven correlated insulator-to-metal transition

Arthur Niedermayr, Hongyi Xu, Chin Shen Ong +9

Ultrafast phase transitions in correlated materials are often inferred from selected diffraction peak intensities or diffraction peak displacements, leaving the underlying three-di…

cond-mat.str-el2024

Non-equilibrium THz-phonon spin coupling in CrI3

V Shokeen, M Pavelka, R Chulkov +8

Manipulating magnetism at the THz timescale in atomically thin ferromagnets by exploiting the interactions of spins with optical phonon modes presents an innovative idea for THz sp…

cond-mat.str-el2022★ 19 cited

Ultrafast manipulation of the NiO antiferromagnetic order via sub-gap optical excitation

Xiaocui Wang, Robin Y. Engel, Igor Vaskivskyi +19

Wide-band-gap insulators such as NiO offer the exciting prospect of coherently manipulating electronic correlations with strong optical fields. Contrary to metals where rapid depha…

cond-mat.str-el2015★ 16 cited

Electronic and Magnetic Properties of single Fe atoms on a CuN Surface; Effects of Electron Correlations

S. K. Panda, I. Di Marco, O. Grånäs +2

The electronic structure and magnetic properties of a single Fe adatom on a CuN surface have been studied using density functional theory in the local spin density approximation (L…

cond-mat.str-el2015★ 67 cited

Analytic continuation by averaging Padé approximants

J. Schött, I. L. M. Locht, E. Lundin +3

The ill-posed analytic continuation problem for Green's functions and self-energies is investigated by revisiting the Padé approximants technique. We propose to remedy the well-kno…

cond-mat.str-el2013★ 1 cited

Non-trivial order parameter in SrIrO

Shreemoyee Ganguly, Oscar Granas, Lars Nordstrom

Electronic structure calculations obtained with an approach with density functional theory with an enhanced local Coulomb interaction, DFT+, are presented for the relativistic m…

cond-mat.str-el2013★ 27 cited

Electronic structure, cohesive properties and magnetism of SrRuO; a theoretical investigation

Oscar Grånäs, Igor di Marco, Olle Eriksson +2

We have performed an extensive test of the ability of density functional theory within several approximations for the exchange-correlation functional, local density approximation+H…

cond-mat.str-el2011★ 113 cited

Charge self-consistent dynamical mean-field theory based on the full-potential linear muffin-tin orbital method: methodology and applications

O. Grånäs, I. Di Marco, P. Thunström +4

Full charge self-consistence (CSC) over the electron density has been implemented into the local density approximation plus dynamical mean-field theory (LDA+DMFT) scheme based on a…

cond-mat.str-el2009★ 96 cited

Itinerant magnetic multipole moments of rank five, triakontadipoles, as the hidden order in URuSi

Francesco Crichhio, fredrik Bultmark, Oscar Granas +1

A broken symmetry ground state without any magnetic moments has been calculated by means of local-density-approximation to density functional theory plus a local exchange term, the…

cond-mat.str-el2009★ 119 cited

Multipole decomposition of LDA+ energy and its application to actinides compounds

Fredrik Bultmark, Francesco Cricchio, Oscar Grånäs +1

A general reformulation of the exchange energy of -shell is applied in the analysis of the magnetic structure of various actinides compounds in the framework of LDA+U method. T…