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An exchange-correlation energy functional beyond the local density approximation, based on the exchange-correlation kernel of the homogeneous electron gas and originally introduced by Kohn and Sham, is considered for electronic structure…
The Electric Dipole Moment of the electron (eEDM) is typically investigated in experiments using paramagnetic molecules. However, the physical observable in these searches consists in a linear combination of CP-violating interactions,…
Photomultiplier tubes (PMTs) are widely employed in particle and nuclear physics experiments. The accuracy of PMT waveform reconstruction directly impacts the detector's spatial and energy resolution. A key challenge arises when multiple…
We compare two methods of analyzing the finite-temperature electroweak phase transition in the minimal supersymmetric standard model: the traditional effective potential (EP) approach, and the more recently advocated procedure of…
An electronically variational approach to the calculation of atomic hyperfine structure transition energies under the influence of static external electric fields is presented. The method avoids the calculation of intermediate atomic states…
The Allen-Heine-Cardona theory allows us to calculate phonon-induced electron self-energies from first principles without resorting to the adiabatic approximation. However, this theory has not been able to account for the change of the…
Energy levels, electric dipole transition probabilities and oscillator strengths in five times ionized silicon have been calculated in intermediate coupling. The present calculations were carried out with the general purpose…
A key strategy for the direct detection of sub-GeV dark matter is to search for small ionization signals. These can arise from dark matter-electron scattering or when the dark matter-nucleus scattering process is accompanied by a "Migdal"…
We calculate the nuclear matrix element (NME), effective axial-vector current coupling $g_A^\mathrm{eff}$, and half-life of the double-$\beta$ ($\beta\beta$) decay using the transition operator perturbed by the nuclear interaction. The…
We propose a full-wave pseudo-analytical numerical electromagnetic (EM) algorithm to model subsurface induction sensors, traversing planar-layered geological formations of arbitrary EM material anisotropy and loss, which are used, for…
Embedded density functional theory (e-DFT) is used to describe the electronic structure of strongly interacting molecular subsystems. We present a general implementation of the Exact Embedding (EE) method [J. Chem. Phys. 133, 084103 (2010)]…
The choice of exchange functional is a critical factor in determining the energy bandgap of semiconductors. Ab initio calculations using different exchange functionals, including the conventional generalized-gradient approximation (GGA)…
Electron-impact cross sections for the dissociation process of vibrationally excited He2+ molecular ion, as a function of the incident electron energy are calculated for the dissociative transition X2\Sigma+u \to A2\Sigma+g by using the…
The integrated cross sections of high-energy $e^+e^-$ electroproduction by an electron in an atomic field is studied. Importance of various contributions to these cross sections is discussed. It is shown that the Coulomb corrections are…
In a recent Letter, Zhao et al. [1] reported the origin of quasi-one-dimensional metal-insulator (MI) transitions in compound semiconductor surfaces. Based on a density-functional theory (DFT) calculation within the generalized gradient…
We have developed an efficient computational scheme utilizing the real-space finite-difference formalism and the projector augmented-wave (PAW) method to perform precise first-principles electronic-structure simulations based on the density…
We show that the scattering rate for any dark matter (DM) interaction with electrons in any target is proportional to several measurable material properties, encapsulated by a single master formula. This generalizes the dielectric function…
The one dimensional (1D) driven quantum coupled pseudoforce system governing the dynamics of collective Langmuir electron oscillations is used in order to investigate the effects of variety of space charge distributions on plasmon…
Quantum embedding schemes have the potential to significantly reduce the computational cost of first principles calculations, whilst maintaining accuracy, particularly for calculations of electronic excitations in complex systems. In this…
The Dark Matter Particle Explorer (DAMPE) is a space-based Cosmic-Ray (CR) observatory with the aim, among others, to study Cosmic-Ray Electrons (CREs) up to 10 TeV. Due to the low CRE rate at multi-TeV energies, we aim to increasing the…