Related papers: Extension of the composite CBS-QB3 method to singl…
For quantum systems with competing potentials, the conventional perturbation theory often yields an asymptotic series and the subsequent numerical outcome becomes uncertain. To tackle such kind of problems, we develop a general solution…
Accurate mass-interpolation and mass-asymptotic formulas are derived for one- and two-center three-body ions with unit charges. The derived formulas are applied to predict accurate numerical values of the total energies of the ground…
We generalize effective energy variational techniques to study appropriately quantized solitonic field configurations. Our approach rests on collective quantization ideas and is specifically designed for the numerical evaluation of soliton…
We establish a procedure to find the extremal density matrices for any finite Hamiltonian of a qudit system. These extremal density matrices provide an approximate description of the energy spectra of the Hamiltonian. In the case of…
We perform total energy calculations based on the tight-binding Hamiltonian scheme (i) to study the structural properties and energetics of the extended {311} defects depending upon their dimensions and interstitial concentrations and (ii)…
We present a major update of the publicly available EERAD3 package to calculate perturbative corrections in the strong coupling in hadronic Higgs and $Z$-boson decays. We describe the theoretical framework underlying the numerical…
In this paper we present a procedure to integrate, up to quadratures, the matching conditions of the energy shaping method. We do that in the context of underactuated Hamiltonian systems defined by simple Hamiltonian functions. For such…
We show how radiative QCD corrections calculated in terms of quarks can be incorporated at the hadron level in inclusive semileptonic B-meson decays. The bound state effects are described by a momentum distribution function of the $b$…
Certain point defects in solids can efficiently be used as qubits for applications in quantum technology. They have spin states that are initializable, readable, robust, and can be manipulated optically. New theoretical methods are needed…
We have applied the diffusion quantum Monte Carlo (DMC) method to calculate the cohesive energy and the structural parameters of the binary oxides CaO, SrO, BaO, Sc2O3, Y2O3 and La2O3. The aim of our calculations is to systematically…
Coupled-cluster theories can be used to compute ab initio electronic correlation energies of real materials with systematically improvable accuracy. However, the widely-used coupled cluster singles and doubles plus perturbative triples…
We derive a method to study the phase diagram for high temperature superconductors (HTCS). Our starting point is the Hubbard Hamiltonian with a weak attractive interaction to obtain the formation of bound pairs. We consider this attractive…
We apply the diabatic framework, a QCD-based formalism for the unified study of quarkoniumlike systems in terms of heavy quark-antiquark and open-flavor meson-meson components, to the description of coupled-channel meson-meson scattering.…
The dissociation energy, equilibrium distance, and spectroscopic constants for the $^1\Sigma_g^+$ ground state of the Yb$_2$ molecule are calculated. The relativistic effects are introduced through generalized relativistic effective core…
In the framework of potential models for heavy quarkonium the mass spectrum for the system ($\bar b c$) is considered. Spin-dependent splittings, taking into account a change of a constant for effective coulomb interaction between the…
The goal of the paper is to derive a revised condition of global equilibrium in complex chemical systems as variational principle in formalism of recently developed discrete thermodynamics (DTD) of chemical equilibria. In classical approach…
The three-body scattering problem in Coulombic systems is widespread, however yet unresolved problem by the mathematically rigorous methods. In this work this long term challenge has been undertaken by combining distorted waves and…
We describe a systematic approach [1] to the calculation of kinematic corrections ~ t/Q^2, m^2/Q^2 in hard exclusive processes which involve momentum transfer from the initial to the final hadron state. As an example, the complete…
Free energy sampling methods allow studying the full dynamics of activated processes. Unfortunately, the affordable accuracy of the potential describing the energy and forces of the system is usually rather low. Here we introduce a new…
By introducing a set of auxiliary equations representing a many-body system, we have derived an extension of the Kohn-Sham scheme for the density functional theory. These equations consist of a Kohn-Sham-type equation determining…