Related papers: Calculation of francium hyperfine anomaly
We develop a perturbative model to treat the off-diagonal components in the Hartree-Fock-Bogoliubov (HFB) transformation matrix, which are neglected in the BCS approximation. Applying the perturbative model to a weakly bound nucleus…
The hyperfine splitting of the ground and low-energy $3/2^+(7.8 \pm 0.5$ eV) levels in the $^{229}$Th nucleus in muonic atom ($\mu^-_{1S_{1/2}}{}^{229}$Th$)^*$ has been calculated considering the distribution of the nuclear magnetization in…
Ground state energies and decay widths of particle unstable nuclei are calculated within the Hartree-Fock approximation by performing a complex scaling of the many-body Hamiltonian. Through this transformation, the wave functions of the…
Ground and isomeric states of the neutron-deficient odd-$A$ isotopes $^{183}$Hg, $^{185}$Hg, and $^{187}$Hg are described from a microscopic calculation based on a self-consistent, axially-deformed Hartree-Fock mean field with the Skyrme…
A formula to calculate a norm overlap between Hartree-Fock-Bogoliubov (HFB) states with the odd number parity (one quasi-particle excited states) is derived with help of the Grassmann numbers and the Fermion coherent states. The final form…
We present a fully numerical framework for the optimization of molecule-specific quantum chemical basis functions within the quantics tensor train format using a finite-difference scheme. The optimization is driven by solving the…
This resonance is similar in character to other resonances in atomic physics. It is parameterized by its energy and its lifetime. A numerical discretization technique, the mapped Fourier grid method (MFG) is extended to the Dirac equation…
Here, we propose a new modified quantum mechanics and its new algorithms of atomic fine-structure,asymmetric variational method based on hydrogen-like atom orbit. In addition, as we all know, the ab initio calculation of atomic…
We have performed high-precision calculations of the hyperfine structure for n 2S_1/2 and n 2P_1/2 states of the alkali-metal atoms Rb, Cs, and Fr across principal quantum number n, and studied the trend in the size of the correlations. Our…
The electronic structures of rare-earth elements in the HCP structure, and Europium in the BCC structure, are calculated by use of density-functional theory, DFT. Simulation of X-ray photoemission spectroscopy (XPS) and bremsstrahlung…
The hyperfine interaction constants of the 2p4(3P)3p 2Do_{3/2,5/2}, 4Do_{1/2-7/2} and 4Po_{1/2-5/2} levels in neutral fluorine are investigated theoretically. Large-scale calculations are carried out using the multiconfiguration…
The extension of the density functional theory (DFT) to include pairing correlations without formal violation of the particle-number conservation condition is described. This version of the theory can be considered as a foundation of the…
In our work we construct a Hamiltonian, whose eigenstates approximate the solutions of the self-consistent Hartree-Fock equations for nonrelativistic atoms and ions. Its eigenvalues are given by completely algebraic expressions and the…
We compare two different approaches to investigations of many-electron systems. The first is the Hartree-Fock (HF) method and the second is the Density Functional Theory (DFT). Overview of the main features and peculiar properties of the HF…
{Full three dimensional static and dynamic mean field calculations using collocation basis splines with a Skyrme type Hamiltonian are described. This program is developed to address the difficult theoretical challenges offered by exotic…
Relativistic calculations of the electronic structure of the superheavy element of the eighth period $-$ eka-francium ($Z=119$) and its homologues, which form the group of alkali metals, are performed in the framework of the…
In this paper we present an approach aimed at calculating the optical dielectric constant of crystalline insulators both at the Hartree-Fock, and correlated levels. Our scheme employs a real-space methodology, employing Wannier functions as…
The Breit equation with two electromagnetic form-factors is studied to obtain a potential with finite size corrections. This potential with proton structure effects includes apart from the standard Coulomb term, the Darwin term, retarded…
Accurate treatment of amide resonance is important in electronic structure calculation of protein, for Resonance-Assisted Hydrogen Bonding in the hydrogen bonded chains of backbone amides of protein secondary structures such as beta sheets…
On the basis of quasipotential approach to the bound state problem in quantum electrodynamics we calculate hyperfine structure intervals Delta E^{hfs}(2P_{1/2}) and Delta E^{hfs}(2P_{3/2}) for P-states in muonic deuterium. The tensor method…