相关论文: Band structure and atomic sum rules for x-ray dich…
Within the framework of independent particle approximation, the optical activity tensor of solids is formulated as from different contributions: the magnetic dipole, electric quadrupole, and band dispersion terms. The first two terms have…
The electronic band structures and optical properties of cubic, tetragonal, and monoclinic phases of HfO2 are calculated using the first-principles linear augmented plane-wave method, within the density functional theory and generalized…
We devise a theory of x-ray absorption by symmetric-top molecules which are aligned by an intense optical laser. Initially, the density matrix of the system is composed of the electronic ground state of the molecules and a thermal ensemble…
Dispersion relations for the spectra of surface electron states on a dynamically deformed adsorbed surface of a monocrystal with the Zinc blende structure are received. It is established that the dependences of the band gap width and of the…
This paper discusses a theory of natural circular dichroism in the x-ray region. Integrated spectra are interpreted in terms of microscopic effective operators, which are derived in the framework of a localised (atomic) model. It is shown…
We present the estimates of the order $O(\alpha^{4}_{s})$ QCD corrections to $R(s)$, $R_{\tau}$ and to the deep-inelastic scattering sum rules, namely to the non-polarized and polarized Bjorken sum rules and to the Gross-Llewellyn Smith sum…
The need for accurate calculations on atoms and diatomic molecules is motivated by the opportunities and challenges of such studies. The most commonly-used approach for all-electron electronic structure calculations in general - the linear…
Analysis of the collective structure of 0^{+} states in terms of phonon tations for great amount of nuclei is presented .It is shown that the rotational bands built on these states strongly depend on their structure. The spectrum of the…
We generalize the spectral sum rule preserving density matrix numerical renormalization group (DM-NRG) method in such a way that it can make use of an arbitrary number of not necessarily Abelian, local symmetries present in the quantum…
The ring-diagram partial summation (or RPA) for the ground-state energy of the uniform electron gas (with the density parameter $r_s$) in its weak-correlation limit $r_s\to 0 $ is revisited. It is studied, which treatment of the self-energy…
We theoretically demonstrate a scheme for tomographic reconstruction of asymmetric molecular orbitals based on high-order harmonic generation with a two-color multicycle laser field. It is shown that by adjusting the relative phase of the…
Using circularly polarised radiation and a combination of bulk-sensitive hard X-ray photoelectron spectroscopy and X-ray-absorption spectroscopy (XAS) we studied the electronic and magnetic structure of epitaxial Mn$_{1.8}$Co$_{1.2}$Ga thin…
We derive general expressions for the sum rules of the eigenvalues of drums of arbitrary shape and arbitrary density, obeying different boundary conditions. The formulas that we present are a generalization of the analogous formulas for one…
We extend the band theory of linear orbital magnetoelectric coupling to treat crystals under finite electric fields. Previous work established that the orbital magnetoelectric response of a generic insulator at zero field comprises three…
Infinite sets of sum rules involving the excitations of infinite nuclear matter are derived using only completeness, the current algebra implicit in QCD, and relativistic covariance. The sum rules can be used for isospin-asymmetric nuclear…
We derive two sum rules by studying the low energy Compton scattering on a target of arbitrary (nonzero) spin j. In the first sum rule, we consider the possibility that the intermediate state in the scattering can have spin |j \pm 1| and…
Sum rules for the variation of finite-density spectral density of vector channel with baryon density are derived based on dispersion relations and the operator product expansion. These sum rules may serve as constraints on the…
We present an improved calculation of $B\to$ light vector form factors from light-cone sum rules, including one-loop radiative corrections to twist-2 and twist-3 contributions, and leading order twist-4 corrections. The total theoretical…
We review the DPD sum rules and establish their validity to all orders in QCD. This is done using a diagrammatic approach and light-front perturbation theory. In the process we furthermore investigate the QCD evolution of double parton…
We derive spectral sum rules for inverse powers of the eigenvalues of the Helmholtz equation on a $d$-sphere in the presence of an arbitrary density. By adopting a rigorous renormalization scheme, we remove the divergent contributions of…