Related papers: Ab initio calculations of 14N and 15N hyperfine st…
We report on the first experimental results for microwave spectroscopy of the hyperfine structure of antiprotonic He-3. Due to the helium nuclear spin, antiprotonic He-3 has a more complex hyperfine structure than antiprotonic He-4 which…
Evolutionary algorithms for molecular design require computationally efficient yet accurate fitness functions. We systematically benchmark Hartree-Fock and density functional theory for predicting molecular first hyperpolarizability…
We experimentally study the breakdown of hyperfine coupling for an atom in a deep optical-dipole trap. One-color laser spectroscopy is performed at the resonance lines of a single $^{87}$Rb atom for a trap wavelength of 1064 nm. Evidence of…
We present a first-principles study of the structural, electronic, and optical properties of hydrogenated amorphous silicon (a-Si:H). To this end, atomic configurations of a-Si:H with 72 and 576 atoms respectively are generated using…
We report on the improved measurement of the hyperfine structure of $4f^{12}(^3 H_6)5d_{5/2}6s^2$ $(J=9/2)$ excited state in Tm-169 which is involved in the second-stage laser cooling of Tm. To measure the absolute value of the hyperfine…
We present an investigation of the structure of 13Be obtained via a kinematically complete measurement of the (p; pn) reaction in inverse kinematics at 265 MeV/nucleon. The relative energy spectrum of 13Be is compared to…
Nuclear structure of 7Be, 8B and 7,8Li is studied within the ab initio no-core shell model (NCSM). Starting from the high-precision CD-Bonn 2000 nucleon-nucleon (NN) interaction, wave functions of 7Be and 8B bound states are obtained in…
The ab initio linear muffin-tin-orbital (LMTO) formalism and the semi-empirical method of the Intermediate Neglect of the Differential Overlap (INDO) based on the Hartree-Fock formalism are combined for the study of the hole polarons (a…
We derive expressions for cluster overlap integrals or channel cluster form factors for ab initio no-core shell model (NCSM) wave functions. These are used to obtain the spectroscopic factors and can serve as a starting point for the…
The Z-vector method in the relativistic coupled-cluster framework is used to calculate magnetic hyperfine structure constant ($A_J$) of alkali metals and singly charged alkaline earth metals in their ground state electronic configuration.…
The usefulness of study of hyperfine splitting in the hydrogen atom is limited on a level of 10 ppm by our knowledge of the proton structure. One way to go beyond 10 ppm is to study a specific difference of the hyperfine structure intervals…
We study (inverse) photoemission from systems with strong coupling of doped carriers to phonons. Using an adiabatic approximation, we develop a method for calculating spectra. This method is particularly simple for systems where the…
A comprehensive angle resolved photoemission spectroscopy study of the band structure in single layer cuprates is presented with the aim of uncovering universal trends across different materials. Five different hole- and electron-doped…
A new ATSP2K module is presented for evaluating the electron density function of any multiconfiguration Hartree-Fock or configuration interaction wave function in the non relativistic or relativistic Breit-Pauli approximation. It is first…
We formulate an ab initio downfolding scheme for electron-phonon coupled systems. In this scheme, we calculate partially renormalized phonon frequencies and electron-phonon coupling, which include the screening effects of high-energy…
We measure the hyperfine structure of the $5p^65d$ ${}^2D_{3/2}$, $5p^65d$ ${}^2D_{5/2}$, $5p^64f$ ${}^2F^o_{5/2}$, and $5p^64f$ ${}^2F^o_{7/2}$ levels in doubly-ionized lanthanum (La III; La$^{2+}$) in a hollow cathode lamp using…
Using the Gaussian-03 for ab initio calculations, interactions of various acid molecules with a single water molecule were studied. The molecular and supermolecular optimized structures were found with the Becke-3-Lee-Yang-Parr…
Relativistic corrections to the hyperfine splitting are calculated for the triplet $2^3S_1$ state of the helium isotope He$^3$. High precision variational wave functions are employed, where the electron-electron correlations are well…
A simple approximation within the framework of the hybrid methods for the calculation of the electronic structure of solids is presented. By considering only the diagonal elements of the perturbation operator (Hartree-Fock exchange minus…
The hyperfine structure splittings are determined for the lowest bound state in the positron-helium ion $e^{+}[^3$He$(2^3S)]$ and $e^{+}[^4$He$(2^3S)]$. In particular, we have fond that for the $e^{+}[{}^3$He$(2^3S)]$ ion one can observe…