Related papers: Benchmarking rotational correction energies in odd…
In a recent series of papers, Gebremariam, Bogner, and Duguet derived a microscopically based nuclear energy density functional by applying the Density Matrix Expansion (DME) to the Hartree-Fock energy obtained from chiral effective field…
We consider a family of random matrix ensembles (RME) invariant under similarity transformations and described by the probability density $P({\bf H})= \exp[-{\rm Tr}V({\bf H})]$. Dyson's mean field theory (MFT) of the corresponding plasma…
Systematic calculations of ground-state spin and parity of odd-mass nuclei have been performed within the Hartree--Fock--BCS (HFBCS) approach and the Finite-Range Droplet Model for nuclei for which experimental data are available. The…
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…
Singlet fission (SF) is a multi-exciton generation process that could be harnessed to improve the efficiency of photovoltaic devices. Experimentally, systems derived from the pentacene molecule have been shown to exhibit ultrafast SF with…
Significant progress has been made recently in constraining the isospin-dependent parameters characterizing the SRC (short-range correlation)-modified single-nucleon momentum distribution in neutron-rich nucleonic matter using both…
Static correlation error(SCE) inevitably emerges when a dissociation of a covalent bond is described with a conventional denstiy-functional theory (DFT) for electrons. SCE gives rise to a serious overshoot in the potential energy at the…
Ground-state properties of even-even nuclei with $8\le Z\le120$ from the proton drip line to the neutron drip line have been investigated using the deformed relativistic Hartree-Bogoliubov theory in continuum (DRHBc) with the density…
Many modern semiempirical molecular orbital models are built on the neglect of diatomic differential overlap (NDDO) approximation. An in-depth understanding of this approximation is therefore indispensable to rationalize the success of…
We survey odd-even nuclear binding energy staggering using density functional theory with several treatments of the pairing interaction including the BCS, Hartree-Fock-Bogoliubov, and the Hartree-Fock-Bogoliubov with the Lipkin-Nogami…
Spectroscopic properties of odd-mass nuclei are studied within the framework of the interacting boson-fermion model (IBFM) with parameters based on the Hartree-Fock-Bogoliubov (HFB) approximation. The parametrization D1M of the Gogny energy…
The knowledge of effective masses is a key ingredient to analyze numerous properties of semiconductors, like carrier mobilities, (magneto-)transport properties, or band extrema characteristics yielding carrier densities and density of…
One-body reduced density matrix functional theory (RDMFT) provides an alternative to Density Functional Theory (DFT), able to treat static correlation while keeping a relatively low computation scaling. Its disadvantageous cost comes mainly…
A new alternative approach to calculate the ratio of the surface to volume components of the nuclear symmetry energy is proposed in the framework of the coherent density fluctuation model (CDFM). A new expression (scheme II) for the ratio…
The odd-even mass staggering (OES) of nuclei is analyzed in the context of self-consistent mean-field calculations. The procedure developed allows to understand the OES for spherical as well as for deformed nuclei. Comparison with results…
The observed baryon asymmetry of the universe (BAU) cannot be explained by the known sources of charge-parity (CP)-violation in the Standard Model (SM). A non-zero permanent electric-dipole-moment (EDM) for fundamental particles, nuclei or…
Correlation functions of energy flow operators (energy-energy correlators) are one of the simplest observables in quantum field theory and gravity, with diverse applications ranging from real world collider physics to constraining the space…
The present study aims at further development of covariant energy density functionals (CEDFs) towards more accurate description of binding energies across the nuclear chart. For the first time, infinite basis corrections to binding energies…
We have performed a thorough computational study to assess the accuracy of density functional theory (DFT) methods in describing the interactions of CO2 with model alkali-earth-metal (AEM, Ca and Li) decorated carbon structures, namely…
In this review, we will discuss the results of our recent work to study the general optimization of the pure isovector parameters of the popular relativistic mean-field (RMF) and Skyrme-Hartree-Fock (SHF) nuclear energy-density functionals…