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Recent trends of ab initio studies and progress in methodologies for electronic structure calculations of strongly correlated electron systems are discussed. The interest for developing efficient methods is motivated by recent discoveries…

Strongly Correlated Electrons · Physics 2010-12-06 Masatoshi Imada , Takashi Miyake

We perform the four-body calculation of the hyperfine structure in the first rotational state $J=1$ of the H$_2$, D$_2$, and HD molecules and determine the accurate value for the deuteron electric quadrupole moment $Q_d =…

Chemical Physics · Physics 2021-01-04 Mariusz Puchalski , Jacek Komasa , Krzysztof Pachucki

The global potential energy surfaces of the first six singlet electronic states of CO$_2$, 1---3$^1/!A'$ and 1---3$^1/!A"$ are constructed using high level ab initio calculations. In linear molecule, they correspond to…

Chemical Physics · Physics 2015-06-15 Sergy Yu. Grebenshchikov

A comprehensive decay scheme of $^{93}$Nb below 2 MeV has been constructed from information obtained with the $^{93}$Nb(n,n$^\prime$$\gamma$) and $^{94}$Zr(p,2n$\gamma$$\gamma$)$^{93}$Nb reactions. Branching ratios, lifetimes, transition…

In the framework of the quasipotential method in quantum electrodynamics we calculate corrections to the nuclear structure proportional to $r_N^2$ from two-photon exchange amplitudes in the fine and hyperfine structure of P-states in muonic…

High Energy Physics - Phenomenology · Physics 2018-08-29 A. E. Dorokhov , N. I. Kochelev , A. P. Martynenko , F. A. Martynenko , A. E. Radzhabov

Supercells are often used in ab initio calculations to model compound alloys, surfaces and defects. One of the main challenges of supercell electronic structure calculations is to recover the Bloch character of electronic eigenstates…

Materials Science · Physics 2014-09-12 O. Rubel , A. Bokhanchuk , S. J. Ahmed , E. Assmann

On the basis of the perturbation theory in the fine structure constant $\alpha$ and the ratio of the electron to muon masses we calculate one-loop vacuum polarization and electron vertex corrections and the nuclear structure corrections to…

High Energy Physics - Phenomenology · Physics 2011-04-28 A. A. Krutov , A. P. Martynenko

We study highly excited diskoid-like electronic states formed in the vicinity of charged and strongly polarizable diskotic nanostructures, such as circular graphene flakes. First, we study the nature of such extended states in a simple…

Mesoscale and Nanoscale Physics · Physics 2014-08-13 Artem Baskin , Hossein R. Sadeghpour , Petr Kral

Adiabatic potential energy curves of the 3sSigma+, 3tSigma+, 2sPi and 2tPi states correlating for large internuclear distance with the K(4s) + Li(2p) atomic asymptote were calculated. Very good agreement between the calculated and the…

Chemical Physics · Physics 2018-08-01 P. Jasik , J. Kozicki , T. Kilich , J. E. Sienkiewicz , N. E. Henriksen

In this paper we present a model for the electronic excited states of $\pi$ conjugated -acene molecules such as tetracene, pentacene, and hexacene. We use a simple Hubbard model with a limited basis to describe the low lying excitations…

Chemical Physics · Physics 2016-11-07 Z. S. Sadeq , J. E. Sipe

The motivation to develop materials for quantum technologies has put exploration of novel quantum states of matter at the focus of several research fields, with particular efforts towards understanding and controlling the behaviour of…

Calculations have been carried out for the vibrational quenching of excited H$_2$ molecules which collide with Li$^+$ ions at ultralow energies. The dynamics has been treated exactly using the well known quantum coupled-channel expansions…

Chemical Physics · Physics 2009-11-13 S. Bovino , E. Bodo , F. A. Gianturco

The method of effective interaction, traditionally used in the framework of an harmonic oscillator basis, is applied to the hyperspherical formalism of few-body nuclei (A=3-6). The separation of the hyperradial part leads to a state…

Nuclear Theory · Physics 2009-10-31 Nir Barnea , Winfried Leidemann , Giuseppina Orlandini

We perform a calculation of quantum electrodynamics effects in excited states with $l>1$ of arbitrary two-body systems up to $\alpha^6\,\mu$ order. The obtained results are valid for hadronic atoms, as long as the strong interaction effects…

Atomic Physics · Physics 2022-10-19 Jacek Zatorski , Vojtěch Patkóš , Krzysztof Pachucki

We calculate the microwave spectra of ultracold KRb alkali metal dimers, including hyperfine interactions and in the presence of electric and magnetic fields. We show that microwave transitions may be used to transfer molecules between…

Chemical Physics · Physics 2015-05-13 J. Aldegunde , Hong Ran , Jeremy M. Hutson

The study of hyperfine interactions in optically excited fullerenes has recently acquired importance within the context of nuclear spin entanglement for quantum information technology. We here report a first-principles pseudopotential study…

Quantum Physics · Physics 2015-06-03 Vasileia Filidou , Davide Ceresoli , John J. L. Morton , Feliciano Giustino

Understanding coherent dynamics of excitons, spins, or hard-core bosons (HCBs) has tremendous scientific and technological implications for light harvesting and quantum computation. Here, we study decay of excited-state population and…

Strongly Correlated Electrons · Physics 2015-09-09 A. Dey , M. Q. Lone , S. Yarlagadda

Recent optical-potential studies of the phenomenology of kaonic atoms are reviewed. It is shown that the data can be fitted by a complex optical potential with either a relatively shallow attractive component (about -50 MeV at…

Nuclear Theory · Physics 2009-11-07 Avraham Gal

The ground state structure of few-electron concentric double quantum rings is investigated within the local spin density approximation. Signatures of inter-ring coupling in the addition energy spectrum are identified and discussed. We show…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 J. I. Climente , J. Planelles , M. Barranco , F. Malet , M. Pi

Using the newly measured masses of $B_c(1S)$ and $B_c(2S)$ from the CMS Collaboration and the $1S$ hyperfine splitting determined from the lattice QCD as constrains, we calculate the $B_c$ mass spectrum up to the $6S$ multiplet with a…

High Energy Physics - Phenomenology · Physics 2019-05-29 Qi Li , Ming-Sheng Liu , Long-Sheng Lu , Qi-Fang Lü , Long-Cheng Gui , Xian-Hui Zhong