Related papers: Approximate particle number projection for finite …
This paper develops and analyzes a class of semi-discrete and fully discrete weak Galerkin finite element methods for unsteady incompressible convective Brinkman-Forchheimer equations. For the spatial discretization, the methods adopt the…
In the previous paper I \cite{bhagwat20} we have shown that self-consistent Extended Thomas-Fermi (ETF) potentials and densities associated with a given finite-range interaction can be parametrized by generalized Fermi distributions. As a…
Kohn-Sham density functional theory is one of the most widely used electronic structure theories. In the pseudopotential framework, uniform discretization of the Kohn-Sham Hamiltonian generally results in a large number of basis functions…
We discuss two different approximation schemes for the self-consistent solution of the {\it relativistic} Brueckner-Hartree-Fock equation for finite nuclei. In the first scheme, the Dirac effects are deduced from corresponding nuclear…
Starting from an independent-particle model with a finite and arbitrary set of single-particle energies, we develop an analytical approximation to the many-body level density $\rho_A(E)$ and to particle-hole densities. We use exact…
We discuss the pairing gap, a measure for nuclear pairing correlations, in chains of spherical, semi-magic nuclei in the framework of self-consistent nuclear mean-field models. The equations for the conventional BCS model and the…
Error estimates are proved for finite element approximations to the solution of second-order hyperbolic partial differential equations with coefficients varying in both space and time. Optimal rates of convergence in the energy norm are…
Recently, we have proposed the adaptive local basis set for electronic structure calculations based on Kohn-Sham density functional theory in a pseudopotential framework. The adaptive local basis set is efficient and systematically…
The solutions of the Wigner-transformed time-dependent Hartree--Fock--Bogoliubov equations are studied in the constant-$\Delta$ approximation. This approximation is known to violate particle-number conservation. As a consequence, the…
The cranked relativistic Hartree+Bogoliubov theory has been applied for a systematic study of the nuclei around 254No, the heaviest elements for which detailed spectroscopic data are available. The deformation, rotational response, pairing…
This paper introduces a new weak Galerkin (WG) finite element method for second order elliptic equations on polytopal meshes. This method, called WG-FEM, is designed by using a discrete weak gradient operator applied to discontinuous…
A model is developed, based on the density functional perturbation theory and the inverse Kohn-Sham method, that can be used to improve relativistic nuclear energy density functionals towards an exact but unknown Kohn-Sham…
This paper proposes and analyzes a class of new weak Galerkin (WG) finite element methods for 2- and 3-dimensional linear elasticity problems. The methods use discontinuous piecewise-polynomial approximations of degrees $k(\geq 0)$ for the…
The Regularised Inertial Dean-Kawasaki model (RIDK) -- introduced by the authors and J. Zimmer in earlier works -- is a nonlinear stochastic PDE capturing fluctuations around the mean-field limit for large-scale particle systems in both…
A fully self-consistent renormalized random-phase approximation is constructed based on the self-consistent Hartree-Fock mean field plus exact pairing solutions (EP). This approach exactly conserves the particle number and restores the…
In this paper we review the semiclassical extended Thomas-Fermi theory for describing the ground-state properties of nuclei. The binding energies calculated in this approach do not contain shell effects and, in this sense, they are…
Selfconsistent Hartree-Fock-Bogoliubov (HFB) calculations have been performed with the Gogny force for nuclei along several constant Z and constant N chains, with the purpose of extracting the macroscopic part of the binding energy using…
A new scheme to study the properties of finite nuclei is proposed based on the Dirac-Brueckner-Hartree-Fock (DBHF) approach starting from a bare nucleon-nucleon interaction. The relativistic structure of the nucleon self-energies in nuclear…
We present an approach for the calculation of odd-nuclei with exact self-consistent blocking and particle number and angular momentum projection with the finite range density dependent Gogny force. As an application we calculate the nucleus…
Numerically solving high-dimensional random parametric PDEs poses a challenging computational problem. It is well-known that numerical methods can greatly benefit from adaptive refinement algorithms, in particular when functional…