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Register a new userMicroscopic Nuclear Structure and Reaction Calculations in the FMD Approach
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We present here a first application of the Fermionic Molecular Dynamics (FMD) approach to low-energy nuclear reactions, namely the $^3$He($alpha$,$gamma$)$^7$Be radiative capture reaction. We divide the Hilbert space into an external region where the system is described as $^3$He and $^4$He clusters interacting only via the Coulomb interaction and an internal region where the nuclear interaction will polarize the clusters. Polarized configurations are obtained by a variation after parity and angular momentum projection procedure with respect to the parameters of all single particle states. A constraint on the radius of the intrinsic many-body state is employed to obtain polarized clusters at desired distances. The boundary conditions for bound and scattering states are implemented using the Bloch operator. The FMD calculations reproduce the correct energy for the centroid of the $3/2^-$ and $1/2^-$ bound states in $^7$Be. The charge radius of the ground state is in good agreement with recent experimental results. The FMD calculations also describe well the experimental phase shift data in the $1/2^+$, $3/2^+$ and $5/2^+$ channels that are important for the capture reaction at low energies. Using the bound and scattering many-body wave functions we calculate the radiative capture cross section. The calculated $S$ factor agrees very well, both in absolute normalization and energy dependence, with the recent experimental data from the Weizmann, LUNA, Seattle and ERNA experiments.
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The nuclear quadrupole moment of the I=3/2- excited nuclear state of 57Fe at 14.41 keV, important in Mossbauer spectroscopy, is determined from the large-scale nuclear shell-model calculations for 57Fe and also from the electronic ab initio and density functional theory calculations including solid state and electron correlation effects for the molecules Fe(CO)_5 and Fe(C_5 H_5)_2. Both independent methods yield very similar results. The recommended value is 0.16(1) eb. The NQM of the isomeric 10+ in 54Fe has also been calculated. The new value (0.5 eb), consistent with the perturbed angular distribution data, is by a factor of two larger than the currently recommended value.
Broydens method, widely used in quantum chemistry electronic-structure calculations for the numerical solution of nonlinear equations in many variables, is applied in the context of the nuclear many-body problem. Examples include the unitary gas problem, the nuclear density functional theory with Skyrme functionals, and the nuclear coupled-cluster theory. The stability of the method, its ease of use, and its rapid convergence rates make Broydens method a tool of choice for large-scale nuclear structure calculations.
The results of the study of gamma-transition description in fast neutron capture and photofission are presented. Recent experimental data were used, namely, the spectrum of prompt gamma-rays in the energy range 2{div}18 MeV from 14-MeV neutron capture in natural Ni and isomeric ratios in primary fragments of photofission of the isotopes of U, Np and Pu by bremsstrahlung with end-point energies $E_e$= 10.5, 12 and 18 MeV. The data are compared with the theoretical calculations performed within EMPIRE 3.2 and TALYS 1.6 codes. The mean value of angular momenta and their distributions were determined in the primary fragments $^{84}$Br, $^{97}$Nb, $^{90}$Rb, $^{131,133}$Te, $^{132}$Sb, $^{132,134}$I, $^{135}$Xe of photofissions. An impact of the characteristics of nuclear excited states on the calculation results is studied using different models for photon strength function and nuclear level density.
We present recent results in theoretical studies on nuclear structure and reaction beyond mean field, using the adiabatic self-consistent collective coordinate method and its extension. We also present new results with the finite-temperature Hartree-Fock-Bogoliubov calculation with the three-dimensional-coordinate-space representation.
The similarity renormalization group (SRG) has been successfully applied to soften interactions for ab initio nuclear calculations. In almost all practical applications in nuclear physics, an SRG generator with the kinetic energy operator is used. With this choice, a fast convergence of many-body calculations can be achieved, but at the same time substantial three-body interactions are induced even if one starts from a purely two-nucleon (NN) Hamiltonian. Three-nucleon (3N) interactions can be handled by modern many-body methods. However, it has been observed that when including initial chiral 3N forces in the Hamiltonian, the SRG transformations induce a non-negligible four-nucleon interaction that cannot be currently included in the calculations for technical reasons. Consequently, it is essential to investigate alternative SRG generators that might suppress the induction of many-body forces while at the same time might preserve the good convergence. In this work we test two alternative generators with operators of block structure in the harmonic oscillator basis. In the no-core shell model calculations for 3H, 4He and 6Li with chiral NN force, we demonstrate that their performances appear quite promising.
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