Related papers: On the performance of QTP functionals applied to s…
We construct an order-sharp theory for a double-porosity model in the full linear elasticity setup. Crucially, we uncover time and frequency dispersive properties of highly oscillatory elastic composites.
We explore a new formalism to study the nonlinear electronic density response based on Kohn-Sham density functional theory (KS-DFT) at partially and strongly quantum degenerate regimes. It is demonstrated that the KS-DFT calculations are…
As part of a project to obtain better optical response functions for nano materials and other systems with strong excitonic effects we here calculate the exchange-correlation (XC) potential of density-functional theory (DFT) at a level of…
Double hybrid (DH) density functionals are amongst the most accurate density functional approximations developed so far, largely due to incorporation of correlation effects from unoccupied orbitals via second order perturbation theory…
Aims. The main goal of this paper is to present an accurate and efficient numerical strategy for solving the radiative transfer problem for polarised radiation in strong resonance lines forming out of local thermodynamic equilibrium, taking…
The second Born corrections to the electrical and thermal conductivities are calculated for the dense matter in the liquid metal phase for various elemental compositions of astrophysical importance. Inclusion up to the second Born…
We use a density-functional theoretical approach to set up a computationally simple self-consistent scheme to calculate the pair distribution functions and the effective interactions in quantum Coulomb liquids. We demonstrate the accuracy…
Electron-positron interactions have been utilized in various fields of science. Here we develop time-dependent multi-component density functional theory to study the coupled electron-positron dynamics from first principles. We prove that…
A status report on the topic Compton scattering and polarizabilities is presented with emphasis on the scalar t-channel as entering into dispersion theory. Precise values for the polarizabilities are obtained leading to $\alpha_p = 12.0\pm…
We derive an expression for the effective second-harmonic coefficient of a dilute suspension of coated spherical particles. It is assumed that the coating material, but not the core or the host, has a nonlinear susceptibility for…
We determine exactly the short-distance leading behavior of the density correlation functions of a two-dimensional two-component charge-symmetric Coulomb gas composed of point particles, in the whole regime of stability where the coulombic…
The status of the twist--2 and the twist--3 integral relations between polarized structure functions in deep inelastic scattering for electromagnetic and electroweak interactions is reviewed. One novel integral relation for the twist--3…
Second order Moeller-Plesset perturbation theory (MP2) at the complete basis set (CBS) limit and diffusion quantum Monte Carlo (DMC) are used to examine several low energy isomers of the water hexamer. Both approaches predict the so-called…
We present numerical solutions of the $Q^2$ evolution equations at next-to-leading order (NLO) for unpolarized and polarized parton distributions, in both the flavor non-singlet and singlet channels. The numerical method is based on a…
Fault-tolerant quantum computation demands extremely low logical error rates, yet superconducting qubit arrays are subject to radiation-induced correlated noise arising from cosmic-ray muon-generated quasiparticles. The quasiparticle…
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…
We present the second order contributions to the coefficient functions for the parity violating polarized structure functions $g_L$ and $g_4$, thus completing the $\mathcal{O}(\alpha_S^2)$ knowledge on DIS structure functions. We obtain the…
The performance of correlated optimized effective potential (OEP) functionals based on the spin-resolved second-order correlation energy is analyzed. The relative importance of singly- and doubly- excited contributions as well as the effect…
In order to explore the effects of high levels of electron correlation on the real-time coupled cluster formalism and algorithmic behavior, we introduce a time-dependent implementation of the CC3 singles, doubles and approximate triples…
The multi-component density functional theory is faced with the challenge of capturing various types of inter- and intra-particle exchange-correlation effects beyond those introduced by the conventional electronic exchange-correlation…