Covariant density functional theory (CDFT) is a modern theoretical tool for the description of nuclear structure physics. Here different physical properties of the ground and excited states in atomic nuclei have been investigated within the CDFT framework employing three major classes of the state-of-the-art covariant energy density functionals. The global performance of CEDFs for even-even nuclei are investigated and the systematic theoretical uncertainties are estimated within the set of four CEDFs in known regions of the nuclear chart and their propagation towards the neutron drip line. Large-scale axial relativistic Hartree-Bogoliubov (RHB) calculations are performed for even-even nuclei to calculate different ground state observabvles. The predictions for the two-neutron drip line are also compared in a systematic way with the non-relativistic results. CDFT has been applied for systematic study of extremely deformed, rotating N ∼ Z nuclei of the A ∼ 40 mass region. At spin zero such structures are located at high energies which prevents their experimental observation. The rotation acts as a tool to bring these exotic shapes down to the yrast line so that their observation could become possible with a future generation detectors such as GRETA or AGATA. The major physical observables of such structures, the underlying single-particle structure and the spins at which they become yrast or near yrast are defined. The search for the fingerprints of clusterization and molecular structures is performed and the configurations with such features are discussed. CDFT has been applied to study fission barriers of superheavy nuclei and related systematic theoretical uncertainties in the predictions of inner fission barrier heights in superheavy elements. Systematic uncertainties are substantial in superheavy elements and their behavior as a function of proton and neutron numbers contains a large random component. The benchmarking of the functionals to the experimental data on fission barriers in the actinides allows reduction of the systematic theoretical uncertainties for the inner fission barriers of unknown superheavy elements. However, even then they on average increase when moving away from the region where benchmarking has been performed.

The existence of highest proton numbers at which the nuclear landscape cease to ex- ist, the end of the periodic table of elements and the limits of the existence of the nu- clei are some of the difficult questions to answer. To explore those questions, we in- vestigated hyperheavy nuclei (Z ≥ 126) using covariant density functional theory. We demonstrate the existence of three regions of spherical hyperheavy nuclei centered around (Z ∼ 138, N ∼ 230), (Z ∼ 156, N ∼ 310) and (Z ∼ 174, N ∼ 410). Also, we explored other properties of hyperheavy nuclei such as octupole deformation, alpha decay half lives, chemical potential, etc.

Covariant density functional theory (CDFT) is one of the modern theoretical tools for the description of finite nuclei and neutron stars. Its performance is defined by underlying covariant energy density functionals (CEDFs) which depend on a number of parameters. Several investigations within the CDFT framework using the relativistic Hartree-Bogoliubov (RHB) approach are discussed in this dissertation. Statistical errors in ground state observables and single-particle properties of spherical even-even nuclei and their propagation to the limits of nuclear landscape have been investigated in the covariant energy density functionals with nonlinear density dependency. The parametric correlations are studied in different classes of CEDFs; the elimination of these correlations reduces the number of independent parameters to five or six without affecting the performance of CEDFs on a global scale. Moreover, this study reveals the need to include information on deformed nuclei for the improvement of fitting protocols. A new technique for incorporating deformed nuclei data into the fitting protocol is described. Different CEDFs are optimized using this approach, resulting in a significant improvement in the nuclear mass description. A systematic investigation of the ground state and fission properties of even-even actinides and superheavy nuclei with proton numbers Z = 90 - 120 located between the two-proton and two-neutron drip lines has been performed. These results provide a necessary theoretical input for the modeling of the nuclear astrophysical rapid neutron capture process (r-process) taking place in the mergers of neutron stars. The state-of-the-art CEDFs, namely, DD-PC1, DD-ME2, NL3*, and PC-PK1, are employed in this study. Theoretical systematic uncertainties in the physical observables and their evolution as a function of proton and neutron numbers have been quantified and their major sources have been identified. The extension of the nuclear landscape to hyperheavy nuclei is investigated. The transition from ellipsoidal-like nuclear shapes to toroidal shapes is crucial for the potential expansion of the nuclear landscape to hyperheavy nuclei. The physical reasons for the stability of toroidal nuclei in the Z ~ 134 region are discussed.

Covariant density functional theory (CDFT) is a modern theoretical tool for the description of nuclear structure phenomena. Different physical observables of the ground and excited states in even-even nuclei have been studied within the CDFT framework employing three major classes of the state-of-the-art covariant energy density functionals. The global assessment of the accuracy of the description of the ground state properties and systematic theoretical uncertainties of atomic nuclei have been investigated. Large-scale axial relativistic Hartree-Bogoliubov (RHB) calculations are performed for all Z < 106 even-even nuclei between the two-proton and two-neutron drip lines. The sources of theoretical uncertainties in the prediction of the two-neutron drip line are analyzed in the framework of CDFT. We concentrate on single-particle and pairing properties as potential sources of these uncertainties. The major source of these uncertainties can be traced back to the differences in the underlying single-particle structure of the various CEDFs. A systematic search for axial octupole deformation in the actinides and superheavy nuclei with proton numbers Z = 88 - 126 and neutron numbers from two-proton drip line up to N = 210 has been performed in CDFT. The nuclei in the Z ~ 96, N ~ 196 region of octupole deformation have been investigated in detail and their systematic uncertainties have been quantified. The structure of superheavy nuclei has been reanalyzed with inclusion of quadrupole deformation. Theoretical uncertainties in the predictions of inner fission barrier heights in superheavy elements have been investigated in a systematic way. The correlations between global description of the ground state properties and nuclear matter properties have been studied. It was concluded that the strict enforcement of the constraints on the nuclear matter properties (NMP) defined in Ref. [1] will not necessary lead to the functionals with good description of ground state properties. The different aspects of the existence and stability of hyperheavy nuclei have been investigated. For the first time, we demonstrate the existence of three regions of spherical hyperheavy nuclei centered around (Z ~ 138, N ~ 230), (Z ~ 156, N ~ 310) and (Z ~ 174, N ~ 410) which are expected to be reasonably stable against spontaneous fission.

Alors qu’il existe de nombreux calculs microscopiques de barrières de fission pour des noyaux composés pair-pairs, il n’y a cependant que relativement peu de tels calculs pour des noyaux de masse impaire. Ceci est dû aux complications induites par la brisure de la symétric de reversement du sens du temps au niveau du champ moyen qui est engendrée par la présence d’un nucleon non apparié. Pour éviter cette difficulté, des calculs existants pour des noyaux de masse impaire ont tout simplement négligé ces effets de brisure de la symétrie de reversement du sens du temps.Dans ce travail, on se donne pour but d’améliorer la description des barrières de fission, aussi bien que des propriétés spectroscopiques du niveau fondamental et de l’état isomérique de fission,pour quelques isotopes de masse impaire dans la région des actinides en prenant en compte de tels effets. Ceci a été réalisé dans le cadre du formalisme de Skyrme–Hartree–Fock plus BCS avec blocking en adaptant ce formalisme à la brisure de la symétrie considérée. L’interaction résiduelle d’appariement a été approchée par une force de séniorité dont les paramètres ont été ajustés pour reproduire les différences de masse pair-impair de quelques noyaux de la région des actinides.Les énergies des têtes de bande rotationnelle de basse énergie ont été calculées dans le cadre du modèle unifié de Bohr-Mottelson pour quatre noyaux bien déformés (235U, 239Pu, 237Np, 241Am)produisant un bon accord qualitatif avec les données pour les noyaux impairs en neutrons. L’accord significativement moins bon obtenu pour les noyaux impairs en protons pourrait résulter de l’usage de l’approximation de Slater pour l’interaction d’échange de Coulomb. Les énergies de déformation de deux noyaux impairs en neutrons (235U, 239Pu) ont été calculées pour quelques configurations de particule individuelle, jusqu’après la barrières de fission externe. La symétrie axiale a été imposée tandis que la brisure de la symétrie droite-gauche (ou de parité intrinsèque) a été permise dans la région de la seconde barrière. Les hauteurs des barrières de fission pour ces noyaux impairs dépendent significativement des configurations de particule individuelle. Un accord qualitatif avec les données disponibles pour les hauteurs de barrières des noyaux impairs considérés et leurs voisins pair-pairs a été généralement obtenu. / While there have been numerous microscopic calculations on fission barriers of even-even compoundnuclei, there are however, relatively few such work dedicated to odd-mass nuclei. This is dueto the complications posed by the breaking of the time-reversal symmetry at the mean-field leveldue to the presence of an unpaired nucleon. In order to circumvent this difficulty, previous fission barriercalculations of odd-mass nuclei have been performed by neglecting the effect of time-reversalsymmetry breaking. This work aims to improve on the description of fission barriers as well asthe spectroscopic properties of ground and fission-isomeric state, of some odd-mass actinide nucleiby taking the effect of time-reversal symmetry breaking into account. This has been perfomedwithin a Skyrme-Hartree-Fock-plus-BCS framework with blocking, where the BCS formalism hasbeen adapted to accomodate this symmetry breaking. The Skyrme nucleon-nucleon effective forcehas been used with various sets of parameters (SIII, SkM*, SLy5*). The residual pairing interactionhas been approximated by seniority forces whose neutron and proton parameters have beenfitted to reproduce the odd-even mass differences of some actinide nuclei. The low-lying rotationalband-head energies evaluated within the Bohr-Mottelson unified model have been determined forfour well-deformed odd-nuclei (235U, 239Pu, 237Np, 241Am) yielding a good qualitative agreementto the data for odd-neutron nuclei. The agreement was significantly less good for the odd-protonnuclei, possibly due to the use of the Slater approximation for the exchange Coulomb interaction.The deformation energies of two odd-neutron nuclei (235U and 239Pu) have been calculated forsome single-particle configurations up to a point beyond the outer fission-barrier. Axial symmetrynuclear shape has been assumed while a breaking of the left-right (or intrinsic parity) symmetryhas been allowed around the outer fission-barrier. The fission-barrier heights of such odd-neutronnuclei depend significantly on the particle configurations. A special attention has been paid tothe very important rotational correction to deformation energies. In particular, the correction ofthe moment of inertia calculated from the usual Belyaev expression was considered. Overall, aqualitative agreement with available data on fission-barrier heights for the considered odd-neutronnuclei and their even neighbours has been obtained.