相关论文: Cluster Dynamical Mean-field calculations for TiOC…
We develop a nanoscale dynamical mean-field theory (nano-DMFT) to deal with strong Coulomb interaction effects in physical systems that are intermediate in size between atoms and bulk materials, taking into account the tunneling into nearby…
DFT(B3LYP, B3PW91) level calculations in conjunction with three different of basis sets have been used to investigate the variations in the bond lengths, dipole moment and rotational constants, IR frequencies, IR intensities and rotational…
Spectroscopic properties that characterize the shape phase transitions in krypton isotopes with the mass $A\approx80$ region are investigated within the framework of the nuclear density functional theory. Triaxial quadrupole constrained…
The nuclear mean-field potential built up by the $^{12}$C+$^{12}$C interaction at energies relevant for the carbon burning process is calculated in the double-folding model (DFM) using the realistic ground-state density of $^{12}$C and the…
We present a computational study of 2$p$ core-level X-ray photoemission spectra of transition metal monoxides MO (M=Ni, Co, Mn) and sesquioxides M$_2$O$_3$ (M=V, Cr, Fe) using a theoretical framework based on the local-density approximation…
We employ an ensemble of hydrodynamic cluster simulations to create spatially and spectrally resolved images of quality comparable to Chandra's expected performance. Emission from simulation mass elements is represented using the XSPEC…
Cluster radioactivity is described as a very mass asymmetric fission process. The reflection symmetry breaking octupole moment has been used in a mean field HFB theory as leading coordinate instead of the quadrupole moment usually used in…
Mean-field theory (MFT) is one of the main available tools for analytical calculations entailed in investigations regarding many-body systems. Recently, there have been an urge of interest in ameliorating this kind of method, mainly with…
The dynamical mean-field theory together with the non-crossing approximation is used to set up a novel scheme to study the electronic structure of strongly correlated electron systems. The non-interacting band structure is obtained from a…
We simulate the dynamics and the evolution of quiet Sun magnetic elements to produce a probability density function of the field strengths associated with such elements. The dynamics of the magnetic field are simulated through a numerical…
We study magnetic properties of CrO$_2$ within the density functional theory plus dynamical mean-field theory (DFT+DMFT) approach in the paramagnetic phase. We consider the 3-orbital (per Cr site) model, containing only $t_{2g}$ states, the…
In the present work we include the isovector-scalar $\delta$-meson in the quark-meson coupling model (QMC) and study the properties of asymmetric nuclear within QMC without and with the $\delta$-meson. Recent constraints set by isospin…
We derive the microscopic spectral density of the Dirac operator in $SU(N_c\geq 3)$ Yang-Mills theory coupled to $N_f$ fermions in the fundamental representation. An essential technical ingredient is an exact rewriting of this density in…
The intermediate valence of Ce in CeCo$_5$ challenges standard density functional theory (DFT) and static DFT+$U$ approaches, which fail to capture its magnetic properties. By combining DFT+$U$ with exact diagonalization of the Anderson…
Within Current Density Functional Theory, we have studied a quantum dot made of 210 electrons confined in a disk geometry. The ground state of this large dot exhibits some features as a function of the magnetic field (B) that can be…
A remarkable orbital quadrupole magnetic resonance, so-called twist mode, is predicted in alkali metal clusters where it is represented by $I^{\pi}=2^-$ low-energy excitations of valence electrons with strong M2 transitions to the ground…
Measurements of the heat capacity C(T,H) of the one-dimensional quantum magnet TiOCl are presented for temperatures 2K < T < 300K and magnetic fields up to 5T. Distinct anomalies at 91K and 67K signal two subsequent phase transitions. The…
We develop a cluster dynamical mean field theory of the periodic Anderson model in three dimensions, taking a cluster of two sites as a basic reference frame. The mean field theory displays the basic features of the Doniach phase diagram: a…
Recent neutron scattering experiments on V2O3 show that the magnetic fluctuations on the metallic side of the antiferromagnetic metal-insulator transition are not related to the spin structure of the insulator, but rather to the…
We have derived the masses of central objects ($M_{BH}$) of nine type 2 Seyfert nuclei using the observational properties of the hidden broad H$\beta$ emission. We obtain the average dynamical mass, log$(M_{BH} / M_\odot) \simeq 8.00 \pm…