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Within the finite-field Kohn-Sham framework, static electric response properties of diatomic molecules are presented. The electronic energy, dipole moment ({\boldmath$\mu$}), static dipole polarizability ({\boldmath$\alpha$}) and…
In this work, we show in pedagogical detail that the most singular contributions to the slow part of the asymptotic density-density correlation function of Luttinger liquids with fermions interacting mutually with only short-range forward…
The effective action for baryons in the external electromagnetic fields is obtained on the basis of the QCD string theory. The area law of the Wilson loop integral, the approximation of the Nambu-Goto straight-line strings, and the…
Recent experimental measurements, without any theoretical guidance, showed that isotropic polarization response can be achieved by increasing the number of QD layers in a QD stack. Here we analyse the polarization response of multi-layer…
Phononic properties are commonly studied by calculating force constants using the density functional theory (DFT) simulations. Although DFT simulations offer accurate estimations of phonon dispersion relations or thermal properties, but for…
In the study of open quantum systems, the polaron transformation has recently attracted a renewed interest as it offers the possibility to explore the strong system-bath coupling regime. Despite this interest, a clear and unambiguous…
Reporting extensions of a recently developed approach to density functional theory with correct long-range be-havior (Phys. Rev. Lett. 94, 043002 (2005)). The central quantities are a splitting functional gamma[n] and a complementary…
Virtual Compton Scattering is studied at the Thomas Jefferson National Accelerator Facility in the energy domain below pion threshold and in the Delta(1232) resonance region. The data analysis is based on the Dispersion Relation (DR)…
The inclusive polarized structure functions of the proton and deuteron, g1p and g1d, were measured with high statistical precision using polarized 6 GeV electrons incident on a polarized ammonia target in Hall B at Jefferson Laboratory.…
We present new measurements of quantum defects and core polarizabilities in cesium ($^{133}$Cs), based on transition frequency measurements between Rydberg states ($14 \leq n \leq 38$) obtained through terahertz (THz) and radio-frequency…
To examine the applicability of the time-dependent density-functional theory (TDDFT) for treating the electron-nucleus coupling in excited states, we calculate the strength distribution associated with the pi-pi* transition in ethylene. The…
Although the classical density functional theory (DFT) of inhomogeneous fluids was formulated more than four decades ago, its application to broken symmetry phases of molecular systems remained a challenge. Approximate free energy…
Li$_6$PS$_5$Cl is a promising candidate for the solid electrolyte in all-solid-state Li-ion batteries. In applications, this material is in a polycrystalline state with grain boundaries (GBs) that can affect ionic conductivity. While…
In this work we study the transport properties of non-interacting overdamped particles, moving on tilted disordered potentials, subjected to Gaussian white noise. We give exact formulas for the drift and diffusion coefficients for the case…
Compton scattering results are used to probe proton structure via measurement of higher order polarizabilities. Values for $\alpha_{E2}^p,\beta_{E2}^p,\alpha_{E\nu}^p,$ $\beta_{E\nu}^p$ determined via dispersion relations are compared to…
We will give an outline of the computation of the QCD corrections to the spin structure function g_1(x,Q^2) and the spin fragmentation function g_1^H(x,Q^2) which are measured in deep inelastic electron-proton scattering and in…
In this work we investigate how atomic $C_6$ coefficients and static dipole polarizabilities $\alpha$ scale with effective volume. We show, using confined atoms covering rows 1-5 of the periodic table, that $C_6/C_6^R\approx (V/V^R)^{p_Z}$…
A semiconductor quantum dot (QD) embedded within an optical microcavity is a system of fundamental importance within quantum information processing. The optimization of quantum coherence is crucial in such applications, requiring an…
Multi-million atom simulations are performed to study stacking-angle ($\theta$) dependent strain profiles, electronic structure, and polarization-resolved optical modes from [110]-tilted quantum dot stacks (QDSs). Our calculations reveal…
Polarons are widespread in functional materials and are key to device performance in several technological applications. However, their effective impact on material behavior remains elusive, as condensed matter studies struggle to capture…