Related papers: Does the total energy difference method for modell…

We report the first measurement of size-resolved photoelectron angular distributions for the valence orbitals of water clusters with up to 20 molecules. A systematic decrease of the photoelectron anisotropy is found for clusters with up to…

The fixed node diffusion Monte Carlo (DMC) method has attracted interest in recent years as a way to calculate properties of solid materials with high accuracy. However, the framework for the calculation of properties such as total…

The ground state electronic energy of benzene is the focus of a recent blind test by Eriksen and co-workers [arXiv:2008.02678]. In this note, we report the phaseless auxiliary-field quantum Monte Carlo (ph-AFQMC) results on the identical…

We study the interconnection between the results of two qualitatively different approximate calculations of photoionization cross sections, $\sigma_{n\ell}$, for neutral atoms ($A$) or their cations ($A^+$), centrally confined inside a…

In the framework of nuclear energy density functional (EDF) methods, many nuclear phenomena can be related to the deformation of intrinsic states. Their accurate modeling relies on the correct description of the change of nuclear binding…

$\Delta$SCF with constrained occupations have been wildly used to investigate the excited-state and optical properties of defects. Recent studies have demonstrated that combining $\Delta$SCF with hybrid functionals yields good accuracy in…

The binding energies and proton separation energies of nuclides with $Z, N = 30-50$ are investigated, based on the shell model with an uncertainty analysis through statistical methods. Several formulas are used to obtain the binding…

In a recent experiment, carried out at RIBF/RIKEN, the $^{25}$F$(p,2p)$$^{24}$O reaction was studied at 270 MeV/A in inverse kinematics. Derived spectroscopic factors suggest that the effective core of $^{25}$F significantly differs from a…

Hybridization between $f$ electrons and conduction bands ($c$-$f$ hybridization) is a driving force for many unusual phenomena. To provide insight into it, systematic studies of CeCoIn$_5$ heavy fermion superconductor have been performed by…

We perform an analysis of a binding energy difference called delta V_{pn}(N,Z) =- 1/4(E(Z,N)-E(Z,N-2)-E(Z-2,N)+ E(Z-2,N-2) in the framework of a realistic nuclear model. Using the angular-momentum and particle-number projected generator…

The strong field approximation (SFA) formulated in terms of so-called "quantum orbits" led to much insight into intense-laser driven ionization dynamics. In plain SFA, the emitted electron is treated as a free electron in the laser field…

The luminescence of fifteen representative Eu$^{2+}$-doped phosphors used for white-LED and scintillation applications is studied through a Constrained Density Functional Theory. Transition energies and Stokes shift are deduced from…

We revisit the computation of the phase space factors (PSF) involved in the positron decay and electron capture (EC) processes for a large number of nuclei of experimental interest. To obtain the electron/positron wave functions needed in…

Traditional multiconfiguration Hartree-Fock (MCHF) and configuration interaction (CI) methods are based on a single orthonormal orbital basis (OB). For atoms with complicated shell structures, a large OB is needed to saturate all the…

We calculate single-particle excitation energies for a series of 33 molecules using fully selfconsistent GW, one-shot G$_0$W$_0$, Hartree-Fock (HF), and hybrid density functional theory (DFT). All calculations are performed within the…

The nucleus 49Cr has been studied analysing gamma-gamma coincidences in the reaction 46Ti(alpha,n)49Cr at the bombarding energy of 12 MeV. The level scheme has been greatly extended at low excitation energy and several new lifetimes have…

Plasma effect is observed in CCDs exposed to heavy ionizing alpha-particles with energies in the range 0.5 - 5.5 MeV. The results obtained for the size of the charge clusters reconstructed on the CCD pixels agrees with previous measurements…

Energetic disorder has been known for decades to limit the performance of structurally disordered semiconductors such as amorphous silicon and organic semiconductors. However, in the past years, high performance organic solar cells have…

We provide the initial insight into the angle-differential photodetachment spectra of fullerene anions beyond the dipole approximation by utilizing a broadly used modelling of C$_{n}$. In the model, the C$_{n}$ cage is approximated by a…

Estimating CPU power on heterogeneous ARM-based commodity devices is challenging due to limited access to CPU's voltage domains. As a result, state-of-the-art energy-aware Federated Learning (FL) frameworks typically rely on simplified…