Related papers: Semiclassical atom theory applied to solid-state p…
A revised version of the semilocal exchange-correlation functional [Phys. Rev. Lett. 117, 073001 (2016)] (TM) is proposed by incorporating the modifications to its correlation content obtained from the full high-density second-order…
The quantum corrections to the behavior of a semi-classical gas can be expressed as a power series of the ratio $eta$ between the cube of De Broglie's thermal wavelength and the specific volume. The connection between $eta$ and the…
Introduction Theory of electromagnetic excitation and dissociation (Inelastic scattering at high energies: one-photon exchange, semiclassical approach and Glauber theory; Higher order electromagnetic effects, small xi-approximation)…
The conventional transport of particles in the on-shell quasiparticle limit is extended to particles of finite life time by means of a spectral function A(X,\vec{P},M^2) for a particle moving in an area of complex self-energy \Sigma^{ret}_X…
We introduce a novel non-local ingredient for the construction of exchange density functionals: the reduced Hartree parameter, which is invariant under the uniform scaling of the density and represents the exact exchange enhancement factor…
Effective field theories have been successful in describing nuclei up to the alpha particle but face significant challenges for larger nuclei due to leading-order instabilities. These issues can be addressed with the introduction of a fake…
Successful modern generalized gradient approximations (GGA's) are biased toward atomic energies. Restoration of the first-principles gradient expansion for exchange over a wide range of density gradients eliminates this bias. We introduce…
The interaction of a five-level atomic system involving electromagnetically induced transparency with four light fields is investigated. Two different light-atom configurations are considered, and their efficiency in generating large…
We introduce a new form of density functional theory for the {\em ab initio} description of electronic systems in contact with a molecular liquid environment. This theory rigorously joins an electron density-functional for the electrons of…
Within the frame-work of semiclassical theory two-level approximation in atomic system has been considered. Model proposed by M.D. Crisp and E.T. Jaynes has been modified. It has been shown that the time-dependent frequency shift depends on…
Semi-classical approaches approximate fully quantum descriptions with partially classical ones. Here we use a toy model to highlight the failings of the standard mean-field semi-classical approach, and show how including environmental…
We study the uniform electron gas with a gap model in the context of density functional theory. Based on this analysis, we construct two local gap models that realize generalized gradient approximation (GGA) correlation functionals…
We study the semiclassical behaviour of a two--dimensional nonintegrable system. In particular we analyze the question of quantum corrections to the semiclassical quantization obtaining up to the second order of perturbation theory an…
This is a follow-up of our recently proposed work on pseudopotential calculation (Ref. [21]) of atoms and molecules within DFT framework, using cartesian coordinate grid. Detailed results are presented to demonstrate the usefulness,…
We go beyond the approximate series-expansions used in the dispersion theory of finite size atoms. We demonstrate that a correct, and non-perturbative, theory dramatically alters the dispersion selfenergies of atoms. The non-perturbed…
Using non-equilibrium Green's functions combined with many-body perturbation theory, we have calculated steady-state densities and currents through short interacting chains subject to a finite electric bias. By using a steady-state…
We use the density functional method to examine the properties of the nonuniform (two-phase) fluid of two-level atoms, a part of which is excited. Basing on the analysis of the equation of state of a gas of two-level atoms, a part of which…
The Jacob's ladder of density functional theory (DFT) proposes the compelling view that by extending the form of successful approximations -- being guided by exact conditions and selected (least empirical) norms -- upper rungs will do…
Homogeneous electron and nuclear gases are transformed to a localized trial density in absolute coordinates of the multi-component hamiltonian to determine the stability of forming bound states. Regions of stability were found both at the…
A general formalism of the Glauber theory for elementary atom (EA) - target atom (TA) scattering is developed. A second-order approximation of its complete version is considered in the framework of the optical-model perturbative approach. A…