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The combination of configuration interaction and many-body perturbation theory methods (CI+MBPT) is extended to non-perturbatively include configurations with electron holes below the designated Fermi level, allowing us to treat systems…

Atomic Physics · Physics 2016-07-13 J. C. Berengut

The order parameter of superfluid $^3$He involves nine complex components, and the multicomponent structure allows quantized vortices in superfluid $^3$He to have complicated cores. One of the vortices found in the B phase is the…

Other Condensed Matter · Physics 2025-10-23 Riku Rantanen

The hypertriton bound state is relevant for inference of knowledge about the hyperon-nucleon (YN) interaction. In this work we compute the binding energy of the hypertriton using the ab initio hypernuclear no-core shell model (NCSM) with…

Nuclear Theory · Physics 2021-09-21 Thiri Yadanar Htun , Daniel Gazda , Christian Forssén , Yupeng Yan

Accurate spectroscopic investigations of the heaviest elements are inherently challenging, due to their short lifetimes and low production yields. Success of such measurements requires both dedicated experimental techniques and strong…

A brief review of the search for variation of the fine structure constant in quasar absorption spectra is presented. Special consideration is given to the role of atomic calculations in the analysis of the observed data. A range of methods…

Atomic Physics · Physics 2015-05-13 V. A. Dzuba , V. V. Flambaum

By means of a diffusion Monte Carlo technique, we study one-dimensional unbalanced mixtures of fermionic Ytterbium atoms ($^{173}$Yb, $^{171}$Yb). This means clusters in which the total number of $^{173}$Yb particles is different from the…

Quantum Gases · Physics 2024-11-27 M. C. Gordillo

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.…

Atomic Physics · Physics 2017-07-18 Sudip Sasmal

High-precision molecular experiments testing the Standard Model of particle physics require an accurate understanding of the molecular structure at the hyperfine level, both for the control of the molecules and for the interpretation of the…

Atomic Physics · Physics 2025-11-19 Yuly Chamorro , Felix Kogel , Tim Langen , Anastasia Borschevsky

X-Ray transition energies and isotope shifts in heavy atoms are evaluated. The energy levels with vacancies in the inner shells are calculated within the approximation of the average of nonrelativistic configuration employing the…

Atomic Physics · Physics 2018-08-29 I. I. Tupitsyn , N. A. Zubova , V. M. Shabaev , G. Plunien , Th. Stoehlker

We perform a theoretical study of vacuum polarization corrections to the hyperfine structure in many-electron atoms. Calculations are performed for systems of interest for precision atomic tests of fundamental physics belonging to the…

Atomic Physics · Physics 2025-03-24 J. C. Hasted , C. J. Fairhall , O. R. Smits , B. M. Roberts , J. S. M. Ginges

We discuss the computation of two-body matrix elements from the Argonne $v_{18}$ interaction. The matrix elements calculation is presented both in particle-particle and in particle-hole angular momentum coupling. The procedures developed…

Nuclear Theory · Physics 2007-05-23 Bogdan Mihaila , Jochen H. Heisenberg

We present an efficient \textit{ab initio} method for calculating the electronic structure and total energy of strongly correlated electron systems. The method extends the traditional Gutzwiller approximation for one-particle operators to…

Strongly Correlated Electrons · Physics 2014-07-01 Y. X. Yao , J. Liu , C. Liu , W. C. Lu , C. Z. Wang , K. M. Ho

We consider different options for the search for possible variations of the fundamental constants. We give a brief overview of the results obtained with several methods. We discuss their advantages and disadvantages with respect to…

Atomic Physics · Physics 2009-11-06 Savely G. Karshenboim

Using recently developed version of the configuration interaction method for atoms with open shells we calculate electron structure and spectroscopic properties of the mendelevium atom (Md, $Z=101$). These include energy levels, first and…

Atomic Physics · Physics 2020-04-22 Jiguang Li , Vladimir Dzuba

In principle, many-electron correlation energy can be precisely computed from a reduced Wigner distribution function ($\mathcal{W}$) thanks to a universal functional transformation ($\mathcal{F}$), whose formal existence is akin to that of…

Chemical Physics · Physics 2019-01-23 Rutvij Vihang Bhavsar , Raghunathan Ramakrishnan

We discuss calculations of three-body observables for the breakup of ^8B on a ^{58}Ni target at low energy using the coupled discretised continuum channels approach. Calculations of both the angular distribution of the ^7Be fragments and…

Nuclear Theory · Physics 2009-11-06 J. A. Tostevin , F. M. Nunes , I. J. Thompson

We introduce an energy functional for ground-state electronic structure calculations. Its variables are the natural spin-orbitals of singlet many-body wave functions and their joint occupation probabilities deriving from controlled…

Chemical Physics · Physics 2016-12-04 Ralph Gebauer , Morrel H. Cohen , Roberto Car

In this work we present the first steps towards benchmarking isospin symmetry breaking in ab initio nuclear theory for calculations of superallowed Fermi $\beta$-decay. Using the valence-space in-medium similarity renormalization group, we…

Nuclear Theory · Physics 2021-08-03 M. S. Martin , S. R. Stroberg , J. D. Holt , K. G. Leach

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…

Materials Science · Physics 2012-01-31 Fabien Tran

Calculated energy levels from recent \emph{ab initio} studies of the electronic structure of SrCl$_{2}$:Yb$^{2+}$ and CsCaBr$_{3}$:Yb$^{2+}$ are fitted with a semi-empirical "crystal-field" Hamiltonian, which acts within the model space…

Materials Science · Physics 2013-10-02 A. J. Salkeld , M. F. Reid , J. -P. R. Wells , G. Sanchez-Sanz , L. Seijo , Z. Barandiaran