Related papers: Ab initio calculations of 14N and 15N hyperfine st…
We employ dispersion-corrected density-functional theory to study the adsorption of tetrapyrrole 2H-porphine (2H-P) at Cu(111) and Ag(111). Various contributions to adsorbate-substrate and adsorbate-adsorbate interactions are systematically…
For the hypergeometric spectral curve and its confluent degenerations (spectral curves of "hypergeometric type"), we obtain a simple formula expressing the topological recursion free energies as a sum over BPS states (degenerate spectral…
We study the 2p-core level x-ray photoemission spectra in ferromagnetic transition metals, Fe, Co, and Ni using a recently developed ab initio method.The excited final states are set up by distributing electrons on the one-electron states…
We present and analyze results of the relativistic coupled-cluster calculation of energies, hyperfine constants, and dipole matrix elements for the $2s$, $2p_{1/2}$, and $2p_{3/2}$ states of Li atom. The calculations are complete through…
We report new experimental hyperfine structure (HFS) constants of neutral and singly ionized scandium (Sc I and Sc II). We observed spectra of Sc-Ar and Sc-Ne hollow cathode discharges in the region 200-2500 nm (50,000-4000 cm$^{-1}$) using…
A recently modified method to enable low-energy nuclear scattering results to be extracted from the discrete energy levels of the target-projectile clusters confined by harmonic potential traps is tested. We report encouraging results for…
Analysis of hyperfine structure constants of singly ionised cobalt (Co II) were performed on cobalt spectra measured by Fourier transform spectrometers in the region $3000-63000$ cm$^{-1}$ ($3333-159$ nm). Fits to over $700$ spectral lines…
Understanding the detailed electronic structure of deep defect states in narrow band-gap semiconductors has been a challenging problem. Recently, self-consistent ab initio calculations within density functional theory (DFT) using supercell…
We interpret the Hilbert entropy of a convex projective structure on a closed higher-genus surface as the Hausdorff dimension of the non-differentiability points of the limit set in the full flag space $\mathcal F(\mathbb R^3)$.…
We present the results of first-principles cluster calculations of the electronic structure of La_2CuO_4. Several clusters containing up to nine copper atoms embedded in a background potential were investigated. Spin-polarized calculations…
The ac Stark shift of hyperfine levels of neutral atoms can be calculated using the third order perturbation theory(TOPT), where the third order corrections are quadratic in the atom-photon interaction and linear in the hyperfine…
We report on preliminary results from a systematic study of the hyperfine (HF) structure of antiprotonic helium. This precise measurement which was commenced in 2006, has now been completed. Our initial analysis shows no apparent density or…
Two-dimensional ternary locally resonant phononic crystals used to consist of cylindrical scatterers with uniform coatings in their exterior. An alternative coating scheme with a comblike profile is proposed and investigated in this letter.…
In this note we exhibit the so-called Harbourne constants which capture and measure the Bounded Negativity on various birational models of an algebraic surface. We show an estimation for Harbourne constants for conic configurations on the…
Spectroscopic measurements of the helium atom are performed to high precision using an atomic beam apparatus and electro-optic laser techniques. These measurements, in addition to serving as a test of helium theory, also provide a new…
The present review includes the description of theoretical methods for the investigations of the spectra of hydrogen-like systems. Various versions of the quasipotential approach and the method of the effective Dirac equation are…
Context. The increased sensitivity and high spectral resolution of millimeter telescopes allow the detection of an increasing number of isotopically substituted molecules in the interstellar medium. The 14N/ 15N ratio is difficult to…
The hyperfine structure splittings of the ground states of the $pd\mu, pt\mu$ and $dt\mu$ ions are determined with the use of highly accurate expectation values of the interparticle delta-functions obtained in recent computations. The…
We present a systematic study of the interplay between lattice parameters and the energy of the optical phonons as well as the antiferromagnetic coupling strength, $J$, in the high-$T_{\text{c}}$ superconducting cuprate…
We provide a rigorous derivation of a class of double-hybrid approximations, combining Hartree-Fock exchange and second-order Moller-Plesset correlation with a semilocal exchange-correlation density functional. These double-hybrid…