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Given a vector space of microscopic quantum observables, density functional theory is formulated on its dual space. A generalized Hohenberg-Kohn theorem and the existence of the universal energy functional in the dual space are proven. In this context ordinary density functional theory corresponds to the space of one-body multiplication operators. When the operators close under commutation to form a Lie algebra, the energy functional defines a Hamiltonian dynamical system on the coadjoint orbits in the algebras dual space. The enhanced density functional theory provides a new method for deriving the group theoretic Hamiltonian on the coadjoint orbits from the exact microscopic Hamiltonian.
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The nuclear symmetry energy represents a response to the neutron-proton asymmetry. In this survey we discuss various aspects of symmetry energy in the framework of nuclear density functional theory, considering both non-relativistic and relativistic self-consistent mean-field realizations side-by-side. Key observables pertaining to bulk nucleonic matter and finite nuclei are reviewed. Constraints on the symmetry energy and correlations between observables and symmetry-energy parameters, using statistical covariance analysis, are investigated. Perspectives for future work are outlined in the context of ongoing experimental efforts.
The neutron and proton drip lines represent the limits of the nuclear landscape. While the proton drip line is measured experimentally up to rather high $Z$-values, the location of the neutron drip line for absolute majority of elements is based on theoretical predictions which involve extreme extrapolations. The first ever systematic investigation of the location of the proton and neutron drip lines in the covariant density functional theory has been performed by employing a set of the state-of-the-art parametrizations. Calculated theoretical uncertainties in the position of two-neutron drip line are compared with those obtained in non-relativistic DFT calculations. Shell effects drastically affect the shape of two-neutron drip line. In particular, model uncertainties in the definition of two-neutron drip line at $Zsim 54, N=126$ and $Zsim 82, N=184$ are very small due to the impact of spherical shell closures at N=126 and 184.
Modern applications of Covariant Density Functional Theory (CDFT) are discussed. First we show a systematic investigation of fission barriers in actinide nuclei within constraint relativistic mean field theory allowing for triaxial deformations. In the second part we discuss a microscopic theory of quantum phase transitions (QPT) based on the relativistic generator coordinate method.
In the framework of the Density Functional Theory for superconductors, we study the restoration of the particle number symmetry by means of the projection technique. Conceptual problems are outlined and numerical difficulties are discussed. Both are related to the fact that neither the many-body Hamiltonian nor the wave function of the system appear explicitly in the Density Functional Theory. Similar obstacles are encountered in self-consistent theories utilizing density-dependent effective interactions.
The fission process is a fascinating phenomenon in which the atomic nucleus, a compact self-bound mesoscopic system, undergoes a spontaneous or induced quantum transition into two or more fragments. A predictive, accurate and precise description of nuclear fission, rooted in a fundamental quantum many-body theory, is one of the biggest challenges in science. Current approaches assume adiabatic motion of the system with internal degrees of freedom at thermal equilibrium. With parameters adjusted to data, such modelling works well in describing fission lifetimes, fragment mass distributions, or their total kinetic energies. However, are the assumptions valid? For the fission occurring at higher energies and/or shorter times, the process is bound to be non-adiabatic and/or non-thermal. The vision of this project is to go beyond these approximations, and to obtain a unified description of nuclear fission at varying excitation energies. The key elements of this project are the use of nuclear density functional theory with novel, nonlocal density functionals and innovative high-performance computing techniques. Altogether, the project aims at better understanding of nuclear fission, where slow, collective, and semi-classical effects are intertwined with fast, microscopic, quantum evolution.
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