相关论文: Ab initio ligand field approach to determine elect…
We describe the dynamics of a single fermion in a dispersionless band coupled to the 2+1 dimensional conformal field theory (CFT) describing the quantum phase transition of a bosonic order parameter with N components. The fermionic spectral…
We study a Luttinger Liquid in a finite one-dimensional wire with box-like boundary conditions by considering the local distribution of the single particle spectral weight. This corresponds to the experimental probability of extracting a…
Unfolding the band structure of a supercell to a normal cell enables us to investigate how symmetry breakers such as surfaces and impurities perturb the band structure of the normal cell. We generalize the unfolding method, originally…
Energy spectra, spin configurations, and entanglement characteristics of a system of four electrons in lateral double quantum dots are investigated using exact diagonalization (EXD), as a function of interdot separation, applied magnetic…
The ground state multiplet structure for nuclei over the wide range of mass number $A$ was calculated in $\delta$-approximation and different mass relations for pairing energy was analysed in this work. Correlation between the calculated…
Ab initio wavefunction based methods are applied to the study of electron correlation effects on the band structure of oxide systems. We choose MgO as a prototype closed-shell ionic oxide. Our analysis is based on a local Hamiltonian…
Both the mass spectra and the wave functions of the light pseudoscalar ($\pi,K,\eta,\eta'$) and vector($\rho,K^{*},\omega,\phi$) mesons are analyzed within the framework of the light-cone constituent quark model. A gaussian radial wave…
The magneto-optical properties of bilayer phosphorene is investigated by the generalized tight-binding model and the gradient approximation. The vertical inter-Landau-level transitions, being sensitive to the polarization directions, are…
Raman spectroscopy is frequently used to identify composition, structure and layer thickness of 2D materials. Here, we describe an efficient first-principles workflow for calculating resonant first-order Raman spectra of solids within…
We review different computational methods for the calculation of photoelectron spectra and angular distributions of atoms and molecules when excited by laser pulses using time-dependent density-functional theory (TDDFT) that are suitable…
Sum rules for the energy levels of a hyperfine multiplet in a constant uniform magnetic field is presented. It is found that for any values of the electron angular moment and the nuclear spin there are certain linear combinations of energy…
We present a method for calculating the spectrum of extended solids within reduced density matrix functional theory. An application of this method to the strongly correlated transition metal oxide series demonstrates that (i) an insulating…
A method to describe spectra starting from nuclear density functionals is explored. The idea is based on postulating an effective Hamiltonian that reproduces the stiffness associated with collective modes. The method defines a simple form…
We introduce a spectral density functional theory which can be used to compute energetics and spectra of real strongly--correlated materials using methods, algorithms and computer programs of the electronic structure theory of solids. The…
We study the electromagnetic structure of the pion in terms of the quantum cromodynamic~(QCD) model on the Breit-frame. We calculated the observables, such as the electromagnetic form factor. The priori to have a calculation covariant need…
The electronic structure of the rare-earth mononitrides LnN (where Ln=rare-earth), which are promising materials for future spintronics applications, is difficult to resolve experimentally due to a strong influence of defects on their…
Density functional theory (DFT) calculations are used to investigate the electronic and magnetic structures of a two-dimensional (2D) monolayer Li$_{2}$N. It is shown that bulk Li$_{3}$N is a non-magnetic semiconductor. The…
Quasiperiodic moir\'e materials provide a new platform for realizing critical electronic states, yet a direct and experimentally practical method to characterize this criticality has been lacking. We show that a multifractal analysis of the…
The LiFr diatomic represents a promising candidate for indirect laser cooling that has not yet been investigated not theoretically or experimentally. The potential energy curves of the ground and low_lying excited states of the LiFr…
In the context of Born-Infeld electrodynamics, the electromagnetic fields interact with each other via their non-linear couplings. A calculation will be performed where an incoming electromagnetic plane wave scatters off a Coulomb Field in…