Related papers: Calculation of hyperfine structure constants of sm…
The high effective electric field ($E_\mathrm{eff}$) experienced by the unpaired electron in an atom or a molecule is one of the key ingredients in the success of electron electric dipole moment (eEDM) experiment and its precise calculation…
Using determinant Quantum Monte Carlo, we compare three methods of evaluating the dc Hall coefficient $R_H$ of the Hubbard model: the direct measurement of the off-diagonal current-current correlator $\chi_{xy}$ in a system coupled to a…
This work presents accurate ab initio determination of the hyperfine splitting for the ground state and few low-lying excited states of 113Cd+; important candidates for the frequency standard in the microwave region, using coupled-cluster…
The electromagnetic form factors of vector mesons are calculated in an explicitly Poincar\'e covariant formulation, based on the Dyson--Schwinger equations of QCD, that respects electromagnetic current conservation, and unambiguously…
We present the result of lattice QCD calculation of the scalar, vector and tensor form factors for the $B\to K\ell^+\ell^-$ decay, across the full physical range of momentum transfer. We use the highly improved staggered quark (HISQ)…
We employ a technique that combines the configuration interaction method with the singles-doubles coupled-cluster method to perform calculation of the energy levels, transition amplitudes, lifetimes, g-factors, and magnetic dipole and…
Hyperfine structure parameters are calculated for the 2p2(3P)3s 4P_J, 2p2(3P)3p 4Po_J and 2p2(3P)3p 4Do_J levels, using the ab initio multiconfiguration Hartree-Fock method. The theoretical hyperfine coupling constants are in complete…
The high-pressure properties of fluorine and chlorine are not yet well understood because both are highly reactive and volatile elements, which has made conducting diamond anvil cell and x-ray diffraction experiments a challenge. Here we…
Precise calculations of core properties in heavy-atom systems which are described by the operators heavily concentrated in atomic cores, like to hyperfine structure and P,T-parity nonconservation effects, usually require accounting for…
We define an affine Jacquet functor and use it to describe the structure of induced affine Harish-Chandra modules at noncritical levels, extending the theorem of Kac and Kazhdan [KK] on the structure of Verma modules in the…
The magnetic dipole and electric quadrupole hyperfine constants of Aluminium ($^{27}Al$) atom are computed using the relativistic coupled cluster (CC) and unitary coupled cluster (UCC) methods. Effects of electron correlations are…
The relativistic coupled-clusters method combined with the generalized relativistic effective core potential approach and nonvariational one-center restoration technique is applied to evaluation of parameters of spin-rotational effective…
We consider a linearly elastic composite medium, which consists of a homogeneous matrix containing a statistically homogeneous set of multimodal spherical inclusions modeling the morphology of heterogeneous solid propellants (HSP).…
The methods which are actively used for electronic structure calculations of low-lying states of heavy- and superheavy-element compounds are briefly described. The advantages and disadvantages of calculations with the Dirac-Coulomb-Breit…
This paper presents a mixed finite element framework for coupled hydro-mechanical-chemical processes in heterogeneous porous media. The framework combines two types of locally conservative discretization schemes: (1) an enriched Galerkin…
Structural, mechanical, electronic, and thermodynamic properties of fluorite and tetragonal phases of ZrH$_{2}$ are systematically studied by employing the density functional theory within generalized gradient approximation. The existence…
We present and analyze results of the relativistic coupled-cluster calculation of energies, hyperfine constants, and dipole matrix elements for the $2s$, $2p_{1/2}$, and $2p_{3/2}$ states of Li atom. The calculations are complete through…
We present semi-empirical evidence suggesting that weak and flavour mixing, at the most fundamental level, can be described in terms of the Euclidean geometry of regular polygons constructible with compass and straightedge, specifically,…
In this study, we present a novel approach along with the needed computational strategies for efficient and scalable feature engineering of the crystal structure in compounds of different chemical compositions. This approach utilizes a…
We present a new high-order coupled cluster method (CCM) formalism for the ground states of lattice quantum spin systems for general spin quantum number, $s$. This new ``general-$s$'' formalism is found to be highly suitable for a…