Related papers: Calculation of reduced coefficients and matrix ele…
We perform the calculation of nuclear matrix elements for the neutrinoless double beta decays under a Left-Right symmetric model mediated by light neutrino, and we adopt the spherical quasi-particle random-phase approximation (QRPA)…
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…
Machine learning potentials (MLP) have revolutionized the field of atomistic simulations by describing the atomic interactions with the accuracy of electronic structure methods at a small fraction of the costs. Most current MLPs construct…
It is shown that four-component (4C), quasi-four-component (Q4C), and exact two-component (X2C) relativistic Hartree-Fock (HF) equations can be implemented in an unified manner, by making use of the atomic nature of the small components of…
Achieving an accurate description of fermionic systems typically requires considerably many more orbitals than fermions. Previous resource analyses of quantum chemistry simulation often failed to exploit this low fermionic number…
The multirank separable kernels of the neutron-proton interaction for uncoupled $S$ and $P$ partial waves (with the total angular momentum $J$=0,1) are proposed. Two different methods of a relativistic generalization of initially…
We present a systematic technique for constructing the Lorentz-covariant structures of hadronic matrix elements of local operators. The spinor Young tableaux of the Lorentz group is employed to construct all possible structures for the…
The reduced-density-matrix method is an promising candidate for the next generation electronic structure calculation method; it is equivalent to solve the Schr\"odinger equation for the ground state. The number of variables is the same as a…
The quantitative description of correlated electron materials remains a modern computational challenge. We demonstrate a numerical strategy to simulate correlated materials at the fully ab initio level beyond the solution of effective…
An extended version of the R-matrix methodology is presented for calculation of radiative parameters for improved plasma opacities. Contrast and comparisons with existing methods primarily relying on the Distorted Wave (DW) approximation…
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…
Semi-leptonic electroweak interactions in nuclei - such as \beta decay, \mu capture, charged- and neutral-current neutrino reactions, and electron scattering - are described by a set of multipole operators carrying definite parity and…
We present a new extension of the UKRmol electron-molecule scattering code suite, which allows one to compute ab initio photoionization and photorecombination amplitudes for complex molecules, resolved both on the molecular alignment…
The inclusive four-particle phase space integral of any $1\to 4$ matrix element in massless QCD contains divergences due to the soft and collinear emission of up to two particles in the final state. We show that any term appearing in this…
A new method is presented for the simplification of loop integrals in one particle irreducible diagrams with large numbers of external lines, based on the partial fractioning of products of propagators. Whenever a loop diagram in $d$…
Group theoretic method for the systematic study of multi-quark states is developed. The calculation of matrix elements of many body Hamiltonian is simplified by transforming the physical bases (quark cluster bases) to symmetry bases (group…
In treating the relativistic three-quark problem, a dressed-quark propagator parameterization is used which is compatible with recent lattice data and pion observables. Furthermore two-quark correlations are modeled as a series of quark…
Closed orbit theory is generalized to the semiclassical calculation of cross-correlated recurrence functions for atoms in external fields. The cross-correlation functions are inverted by a high resolution spectral analyzer to obtain the…
Thomas-Fermi theory is developed to evaluate nuclear matrix elements averaged on the energy shell, on the basis of independent particle Hamiltonians. One- and two-body matrix elements are compared with the quantal results and it is…
A modified spin-fermion model is proposed to describe the physics of the underdoped phase of the t-J model of strongly correlated electrons