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Utilising previous work by the authors on the spin-coupled rotational cross-sections for electron-CN collisions, data for the associated rate coefficients is presented. Data on rotational, fine-structure and hyperfine-structure transition…

Chemical Physics · Physics 2015-06-16 Stephen Harrison , Alexandre Faure , Jonathan Tennyson

The superheavy nuclei push the periodic table of the elements and the chart of the nuclides to their limits, providing a unique laboratory for studies of the electron-nucleus interactions. The most important weak decay mode in known…

Atomic Physics · Physics 2025-03-20 A. Ravlić , P. Schwerdtfeger , W. Nazarewicz

We survey approaches to nonrelativistic density functional theory (DFT) for nuclei using progress toward ab initio DFT for Coulomb systems as a guide. Ab initio DFT starts with a microscopic Hamiltonian and is naturally formulated using…

Nuclear Theory · Physics 2009-12-04 J. E. Drut , R. J. Furnstahl , L. Platter

Electric dipole moments of diamagnetic atoms of experimental interest are calculated using the relativistic Hartree-Fock and random-phase approximation methods, the many-body perturbation theory and configuration interaction technique. We…

Atomic Physics · Physics 2009-10-12 V. A. Dzuba , V. V. Flambaum , S. G. Porsev

We present a review of the basic ideas and techniques of the spectral density functional theory which are currently used in electronic structure calculations of strongly-correlated materials where the one-electron description breaks down.…

Strongly Correlated Electrons · Physics 2009-11-11 G. Kotliar , S. Y. Savrasov , K. Haule , V. S. Oudovenko , O. Parcollet , C. A. Marianetti

The electric dipole moments (EDMs) of the neutron and the electron are reviewed within the framework of the supersymmetric standard model (SSM) based on grand unified theories coupled to N=1 supergravity. Taking into account one-loop and…

High Energy Physics - Phenomenology · Physics 2007-05-23 Mayumi Aoki , Tomoko Kadoyoshi , Akio Sugamoto , Noriyuki Oshimo

The multiconfiguration Dirac-Hartree-Fock (MCDHF) method has been employed to calculate atomic electric dipole moments (EDM) of 225^Ra, 199^Hg, and 171^Yb. For the calculations of the matrix elements we extended the relativistic atomic…

Atomic Physics · Physics 2013-12-24 Laima Radziute , Gediminas Gaigalas , Per Jonsson , Jacek Biero

A general approach to analyze the electrodynamics of nuclear matter in bulk is presented using the relativistic Thomas-Fermi equation generalizing to the case of $N \simeq (m_{\rm Planck}/m_n)^3$ nucleons of mass $m_n$ the approach well…

Astrophysics · Physics 2008-11-26 Remo Ruffini , Michael Rotondo , She-Sheng Xue

The paper presents the multipole expansion for the electron-nucleus scattering cross section at high energies within the framework of the unified electroweak theory. The electroweak currents of the nucleus are expanded into the simple…

High Energy Physics - Phenomenology · Physics 2023-08-08 Z. P. Luong , M. T. Vo

The quantum resonances of an atom possessing a single valence electron which shows hyperfine interaction with the nucleus is investigated in the presence of a three dimensional magnetic quadrupole field. Particular emphasis is put on the…

Atomic Physics · Physics 2009-11-13 Shahpoor Saeidian , Igor Lesanovsky , Peter Schmelcher

We demonstrate that the angular distribution of electrons knocked out from an atom by a fast charge particle is determined not only by dipole but also by quadrupole transitions, the contribution of which can be considerably enhanced as…

Atomic Physics · Physics 2010-12-30 M. Ya. Amusia , L. V. Chernysheva , E. Z. Liverts

Within quantum chemistry, the electron clouds that surround nuclei in atoms and molecules are sometimes treated as clouds of probability and sometimes as clouds of charge. These two roles, tracing back to Schr\"odinger and Born, are in…

Quantum Physics · Physics 2021-07-02 Charles T. Sebens

This paper presents the calculation of the electric transition dipole moment in a pre-Born-Oppenheimer framework. Electrons and nuclei are treated equally in terms of the parametrization of the non-relativistic total wave function, which is…

Chemical Physics · Physics 2014-10-17 Benjamin Simmen , Edit Matyus , Markus Reiher

We apply relativistic many-body methods to compute static differential polarizabilities for transitions inside the ground-state hyperfine manifolds of monovalent atoms and ions. Knowing this transition polarizability is required in a number…

Atomic Physics · Physics 2011-07-13 V. A. Dzuba , V. V. Flambaum , K. Beloy , A. Derevianko

Dipole moments are a simple, global measure of the accuracy of the electron density of a polar molecule. Dipole moments also affect the interactions of a molecule with other molecules as well as electric fields. To directly assess the…

Chemical Physics · Physics 2018-04-11 Diptarka Hait , Martin Head-Gordon

We introduce a method for solving the problem of an externally controlled electron spin in a quantum dot interacting with host nuclei via the hyperfine interaction. Our method accounts for generalized (non-unitary) evolution effected by…

Mesoscale and Nanoscale Physics · Physics 2011-07-21 Edwin Barnes , Sophia E. Economou

New energy-density functionals (EDFs) inspired by effective-field theories (EFTs) have been recently proposed. The present work focuses on three of such functionals which were developed to produce satisfactory equations of state for nuclear…

Nuclear Theory · Physics 2018-09-26 Jérémy Bonnard , Marcella Grasso , Denis Lacroix

Describing the (a) electronic and magnetic properties (EMP) of antiferromagnetic or paramagnetic phases of compounds generally requires the knowledge of (b) the spin configurations and lattice structure (SCLS) of such phases at a given…

Computational Physics · Physics 2022-10-19 Davide Gambino , Oleksandr I. Malyi , Zhi Wang , Björn Alling , Alex Zunger

Collective effects in deformed atomic nuclei present possible avenues of study on the non-spherical distribution of neutrons and the violation of the local Lorentz invariance. We introduce the weak quadrupole moment of nuclei, related to…

Nuclear Theory · Physics 2018-09-18 Bryce G. C. Lackenby , Victor V. Flambaum

Density functional theory is a preferred microscopic method for calculation of nuclear properties over the whole nuclear chart. Besides ground-state properties, which are calculated by Hartree-Fock theory, nuclear excitations can be…

Nuclear Theory · Physics 2020-06-02 Anton Repko