OBJECTIVES Current guidelines for the treatment of patients with obstetric antiphospholipid syndrome (APS) recommend low dose aspirin (LDA) and prophylactic doses of low molecular weight heparin (LMWH). Most clinicians use a fixed dosage of LMWH in pregnant APS women despite the fact that there are no clinical trials establishing that fixed doses are more efficacious than adjusted ones in preve...

We use a combination of conventional density functional theory (DFT) and post-DFT methods, which include the local density approximation plus Hubbard U (LDA + U ), PBE0, and self-consistent GW, to study the electronic properties of Ni-substituted PbTiO3 (Ni-PTO) solid solutions. We find that LDA calculations yield unreasonable band structures, especially for Ni-PTO solid solutions that contain ...

The electronic structure of Fe impurity in MgO was calculated by the linear muffin-tin orbital–full-potential method within the conventional local-density approximation (LDA) and making use of the LDA+U formalism. The importance of introducing different potentials, depending on the screened Coulomb integral U , is emphasized for obtaining a physically reasonable ground state of the Fe ion confi...

The electronic properties of paramagnetic V2O3 are investigated by the computational scheme LDA+DMFT(QMC). This approach merges the local density approximation (LDA) with dynamical mean-field theory (DMFT) and uses quantum Monte Carlo simulations (QMC) to solve the effective Anderson impurity model of DMFT. Starting with the crystal structure of metallic V2O3 and insulating (V0.962Cr0.038)2O3 w...

The nature of the weakly dispersive electronic band near the Fermi level observed in photoemission experiments on the diluted magnetic semiconductor GaMnAs is investigated theoretically. The combination of experimental features appears puzzling. We show that the formation of the band is closely related to the presence of the Mn interstitial impurities. The states forming the band have predomina...