Publications (25)
A Quantum Chemistry Plus Dynamical Mean Field Approach for Correlated Insulators: Application to La_{2}CuO_{4}
M. S. Laad, L. Hozoi, L. Craco
Ab initio determination of excitation energies and magnetic couplings in correlated, quasi two-dimensional iridates
Vamshi M. Katukuri, H. Stoll, J. van den Brink +1
Spin-state transition and spin-polaron physics in cobalt oxide perovskites: ab initio approach based on quantum chemical methods
L. Hozoi, U. Birkenheuer, H. Stoll +1
Breakdown of magnetic order in the pressurized Kitaev iridate $β$-Li$_2$IrO$_3$
M. Majumder, R. S. Manna, G. Simutis +14
Doping Dependence of Collective Spin and Orbital Excitations in Spin 1 Quantum Antiferromagnet La$_{2-x}$Sr$_x$NiO$_4$ Observed by X-rays
G. Fabbris, D. Meyers, L. Xu +14
Near degeneracy and pseudo Jahn-Teller effects in mixed-valence ladders: the phase transition in NaV$_2$O$_5$
L. Hozoi, S. Nishimoto, A. Yamasaki
Testing the validity of the strong spin-orbit-coupling limit for octahedrally coordinated iridates in a model system Sr$_3$CuIrO$_6$
X. Liu, Vamshi M. Katukuri, L. Hozoi +12
Electron correlations and bond-length fluctuations in copper oxides: from Zhang--Rice singlets to correlation bags
L. Hozoi, S. Nishimoto, A. Yamasaki
Fermiology of Cuprates from First Principles: From Small Pockets to the Luttinger Fermi surface
L. Hozoi, M. S. Laad, P. Fulde
Pressure-driven collapse of the relativistic electronic ground state in a honeycomb iridate
J. P. Clancy, H. Gretarsson, J. A. Sears +16
Nonlocal interactions in doped cuprates: correlated motion of Zhang-Rice polarons
L. Hozoi, S. Nishimoto, G. Kalosakas +2
Pressure-induced dimerization and valence bond crystal formation in the Kitaev-Heisenberg magnet alpha-RuCl3
G. Bastien, G. Garbarino, R. Yadav +17
Correlation-induced corrections to the band structure of boron nitride: a wave-function-based approach
A. Stoyanova, L. Hozoi, P. Fulde +1
Renormalization of the quasiparticle hopping integrals by spin interactions in layered copper oxides
L. Hozoi, S. Nishimoto, C. de Graaf
Comment on `Oxygen vacancy-induced magnetic moment in edge-sharing CuO$_{2}$ chains of Li$_{2}$CuO$_{2}$'
R. O. Kuzian, R. Klingeler, W. E. A. Lorenz +23
Kitaev interactions between j=1/2 moments in honeycomb Na2IrO3 are large and ferromagnetic: insights from ab initio quantum chemistry calculations
Vamshi M. Katukuri, S. Nishimoto, V. Yushankhai +7
Wave-function-based approach to quasiparticle bands: new insight into the electronic structure of c-ZnS
A. Stoyanova, L. Hozoi, P. Fulde +1
Ab initio wavefunction based methods for excited states in solids: correlation corrections to the band structure of ionic oxides
L. Hozoi, U. Birkenheuer, P. Fulde +2
Electron correlations and bond-length fluctuations in layered copper oxides: electron versus hole doping
L. Hozoi, S. Nishimoto
Correlated electrons in Fe-As compounds: a quantum chemical perspective
L. Hozoi, P. Fulde
Tuning Magnetic Coupling in Sr$_2$IrO$_4$ Thin Films with Epitaxial Strain
A. Lupascu, J. P. Clancy, H. Gretarsson +16
Crystal field splitting and correlation effect on the electronic structure of A2IrO3
H. Gretarsson, J. P. Clancy, X. Liu +16
Quasiparticle bands in cuprates by quantum chemical methods: towards an ab initio description of strong electron correlations
L. Hozoi, M. Laad
NaYbS$_2$ - a new planar spin-$\frac{1}{2}$ triangular-lattice magnet and putative spin liquid
M. Baenitz, Ph. Schlender, J. Sichelschmidt +12
Spin-Orbital Separation in the quasi 1D Mott-insulator Sr2CuO3
J. Schlappa, K. Wohlfeld, K. J. Zhou +13