Related papers: A correction method for the pair density to get cl…
We present a state-of-the-art evaluation of the polarizability corrections--the inelastic nucleon corrections--to the hydrogen ground-state hyperfine splitting using analytic fits to the most recent data. We find a value $\Delta_{\rm pol} =…
High-precision QED calculations of the ground-state ionization energies are performed for all boronlike ions with the nuclear charge numbers in the range $16 \leqslant Z\leqslant 96$. The rigorous QED calculations are performed within the…
We present a local and transferable machine learning approach capable of predicting the real-space density response of both molecules and periodic systems to external homogeneous electric fields. The new method, SALTER, builds on the…
We present and discuss some ideas concerning an ``average-pair-density functional theory'', in which the ground-state energy of a many-electron system is rewritten as a functional of the spherically and system-averaged pair density. These…
We develop the new method of optimized discretization for imaging the relative source from two particle correlation functions. In this method, the source resolution depends on the relative particle separation and is adjusted to available…
For many physical quantities, theory supplies weak- and strong-coupling expansions of the types $\sum a_n \alpha ^n$ and $ \alpha ^p\sum b_n (\alpha^{-2/q) ^n$, respectively. Either or both of these may have a zero radius of convergence. We…
The RPA long range correlations are known to play a significant role in understanding the depletion of single particle-hole states observed in (e, e') and (e, e'p) measurements. Here the Random Phase Approximation (RPA) theory, implemented…
Polarised neutron scattering is the method of choice to study magnetism in condensed matter. Polarised neutrons are typically very low in flux, and complex experimental configurations further reduce the count rate. Neutron polarisation…
The large-$Z$ asymptotic expansion of atomic energies has been useful in determining exact conditions for corrections to the local density approximation in density functional theory. The correction for exchange is fit well with a leading $Z…
We reconsider the Standard Model interactions of ultra-high energy neutrinos with matter. The next to leading order QCD corrections are presented for charged-current and neutral-current processes. Contrary to popular expectations, these…
We present a relativistic correction scheme to improve the accuracy of 1s core-level binding energies calculated from Green's function theory in the $GW$ approximation, which does not add computational overhead. An element-specific…
We point out that the proton-neutron energy contribution, for low multipoles (in particular for the quadrupole component), effectively renormalizes the strength of the pairing interaction acting amongst identical nucleons filling up a…
Parity nonconservation due to the nuclear weak charge is considered. We demonstrate that the radiative corrections to this effect due to the vacuum fluctuations of the characteristic size larger than the nuclear radius $r_0$ and smaller…
Standard approximations for the exchange-correlation (XC) functional in Kohn-Sham density functional theory (KS-DFT) typically lead to unacceptably large errors when applied to strongly-correlated electronic systems. Partition-DFT (PDFT) is…
In this paper, we propose a novel algorithm called Neuron-wise Parallel Subspace Correction Method (NPSC) for the finite neuron method that approximates numerical solutions of partial differential equations (PDEs) using neural network…
We propose and study a regularization method for recovering an approximate electrical conductivity solely from the magnitude of one interior current density field. Without some minimal knowledge of the boundary voltage potential, the…
Background: Time-reversal-invariance violation, or equivalently CP violation, may explain the observed cosmological baryon asymmetry as well as signal physics beyond the Standard Model. In the decay of polarized neutrons, the triple…
Radiative corrections due to pair production in process of electron-positron annihilation are considered. The main attention is paid to the corrections of the third order. Simultaneous emission of photons and pairs is taken into account.…
Computational models of atmospheric composition are not always physically consistent. For example, not all models respect fundamental conservation laws such as conservation of atoms in an interconnected chemical system. In well performing…
We propose a systematic method of analyzing pseudopotential transferability based on linear-response properties of the free atom, including self-consistent chemical hardness and polarizability. Our calculation of hardness extends the…