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In this article, the molecular permanent electric dipole moments and components of static dipole polarizabilities for the electronic ground state of singly charged aluminum monohalides are reported. The coupled-cluster method by considering…
We consider a conforming finite element approximation of the Reissner-Mindlin system. We propose a new robust a posteriori error estimator based on H(div) conforming finite elements and equilibrated fluxes. It is shown that this estimator…
Novel relativistic expressions are used to calculate the weak decay constants of pseudoscalar and vector mesons within the constituent quark model. Meson wave functions satisfy the quasipotential equation with the complete relativistic…
Object oriented software with low cohesive classes can increase maintenance cost. Low cohesive classes are likely to be introduced into the software during initial design due to deviation from design principles and during evolution due to…
The proposed Large Hadron Electron Collider (LHeC), with center-of-mass energy of $\sqrt{s}\approx 1.3$ TeV, provides a clean and sensitive environment to probe the top quark's neutral current interactions with the $Z$ boson via the process…
Modular composition is the problem of computing the coefficient vector of the polynomial $f(g(x)) \bmod h(x)$, given as input the coefficient vectors of univariate polynomials $f$, $g$, and $h$ over an underlying field $\mathbb{F}$. While…
We examine a simple Composite Higgs Model (CHM) with vector resonances in addition to the Standard Model (SM) fields in perturbation theory by using the $K$-matrix method to implement unitarity constraints. We find that the $W_LW_L$…
A block-correlated coupled cluster (BCCC) method based on the generalized valence bond (GVB) wave function (GVB-BCCC in short) is proposed and implemented at the ab initio level, which represents an attractive multireference electronic…
Publicly available collections of drug-like molecules have grown to comprise 10s of billions of possibilities in recent history due to advances in chemical synthesis. Traditional methods for identifying "hit" molecules from a large…
We present an update on the meson mass spectra calculation with the light-front quark model constrained by the variational principle for the QCD-motivated effective Hamiltonian. By smearing out the Dirac delta function in the hyperfine…
An efficient approach to calculate approximate pure-state and transition reduced density matrices in the framework of the multireference relativistic Fock-space coupled cluster (FS CC) theory is proposed. The method is based on the…
The form factors of the semileptonic $B$, $B_s$ and $B_c$ meson decays are calculated in the framework of the relativistic quark model based on the quasipotential approach in QCD. They are expressed through the overlap integrals of the…
The self-energy of the Dirac Brueckner-Hartree-Fock calculation in nuclear matter is parametrized by introducing density-dependent coupling constants of isoscalar mesons in the relativistic Hartree-Fock (RHF) approach where isoscalar meson…
We present a determination of the strong coupling constant and heavy quark masses in (2+1)-flavor QCD using lattice calculations of the moments of the pseudo-scalar quarkonium correlators at several values of the heavy valence quark mass…
A fully covariant model for describing the electromagnetic decay of Vector Mesons, both in light and in heavy sectors, is presented. The main ingredients of our approach are i) an Ansatz for the Bethe-Salpeter vertex for Vector Mesons, and…
Using the most general form of the interpolating current for baryons, the strong electric and magnetic coupling constants of light vector mesons $ \rho $ and $ K^* $ with doubly heavy baryons are computed within the light-cone sum rules. We…
We present an efficient algorithm for one- and two-component relativistic exact-decoupling calculations. Spin-orbit coupling is thus taken into account for the evaluation of relativistically transformed (one-electron) Hamiltonian. As the…
We demonstrate the feasibility of determining the strong coupling constant, $\alpha_s$, from the inclusive semileptonic decay width of $B$ mesons. We express the semileptonic $B$ decay width as a function of $\alpha_s(5\mathrm{\,GeV})$, the…
Multicomponent methods are a conceptually simple way to include nuclear quantum effects into quantum chemistry calculations. In multicomponent methods, the electronic molecular orbitals are described using the linear combination of atomic…
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…