Related papers: Regularization of Multi-Reference Energy Density F…
We formulate and implement the core-valence separated multireference equation-of-motion driven similarity renormalization group method (CVS-IP-EOM-DSRG) for simulating X-ray photoelectron spectra (XPS) of strongly correlated molecular…
The present document focuses on the theoretical foundations of the nuclear energy density functional (EDF) method. As such, it does not aim at reviewing the status of the field, at covering all possible ramifications of the approach or at…
A general approach for deriving the expression of reference distribution functions by statistical thermodynamics is illustrated, and applied to the case of a magnetically confined plasma. The local equilibrium is defined by imposing the…
We take an additional step towards the optimization of the novel finite-range pseudopotential at constrained Hartree-Fock-Bogolyubov level and implement an optimization procedure within an axial code using harmonic oscillator basis. We…
We consider one-dimensional regularizations of the Coulomb potential formed by taking a two-dimensional expectation of the Coulomb potential with respect to the Landau states. It is well-known that such functions arises naturally in the…
Constraint Molecular dynamics CoMD calculations have been performed for symmetric nuclear matter (NM) by using a simple effective interactions of the Skyrme type. The set of parameter values reproducing common accepted saturation properties…
We propose a systematic methodology to derive the regularized thirteen-moment equations in the rarefied gas dynamics for a general class of linearized collision models. Detailed expressions of the moment equations are written down for all…
The most commonly used form of regularization typically involves defining the penalty function as a L1 or L2 norm. However, numerous alternative approaches remain untested in practical applications. In this study, we apply ten different…
The density profiles of around 750 nuclei are analyzed using the Skyrme energy density functional theory. Among them, more than 350 nuclei are found to be deformed. In addition to rather standard properties of the density, we report a…
An energy for first-order structured deformations in the context of periodic homogenization is obtained. This energy, defined in principle by relaxation of an initial energy of integral type featuring contributions of bulk and interfacial…
We investigate the spin dependent part of the Skyrme energy-density functional, in particular its impact on the residual particle-hole interaction in self-consistent calculations of excitations. Test cases are the low-energy M1 excitations…
A scheme within density functional theory is proposed that provides a practical way to generalize to unrestricted geometries the method applied with some success to layered geometries [H. Rydberg, et al., Phys. Rev. Lett. 91, 126402…
Uniform semiclassical approximations for the number and kinetic-energy densities are derived for many non-interacting fermions in one-dimensional potentials with two turning points. The resulting simple, closed-form expressions contain the…
We compute the low energy threshold corrections to neutrino masses and mixing in the Standard Model (SM) and its minimal supersymmetric version, using the effective theory technique. We demonstrate that they stabilize the renormalization…
Multireference density functional theory (MR-DFT) provides a pivotal microscopic framework for the description of the ground state properties, low-lying nuclear spectra and transition properties of atomic nuclei. Conventionally, practical…
Five effects of correction of the asymptotic potential error in density functionals are identified that significantly improve calculated properties of molecular excited states involving charge-transfer character. Newly developed…
In this paper, we first derive a theoretical basis for spherical conformal parameterizations between a simply connected closed surface $\mathcal{S}$ and a unit sphere $\mathbb{S}^2$ by minimizing the Dirichlet energy on…
This work unifies pseudo-time and inexact regularization techniques for nonmonotone classes of partial differential equations, into a regularized pseudo-time framework. Convergence of the residual at the predicted rate is investigated…
A new Skyrme-like energy density suitable for studies of strongly elongated nuclei has been determined in the framework of the Hartree-Fock-Bogoliubov theory using the recently developed model-based, derivative-free optimization algorithm…
Motivated by re-weighted $\ell_1$ approaches for sparse recovery, we propose a lifted $\ell_1$ (LL1) regularization which is a generalized form of several popular regularizations in the literature. By exploring such connections, we discover…