Please login to be able to save your searches and receive alerts for new content matching your search criteria.
We present Skyrme-force Hartree–Fock calculations of metastable three-α chain-state configurations in 12C, 16C, and 20C. A microscopic dynamical study of reactions involving three 4He clusters shows that the triple-α linear chain configuration of 12C is formed with a certain lifetime and subsequently decays into a triangular configuration of 12C and then to a configuration near the ground state.
N,N′-bis(5-bromosalicylidene)propane-1,2-diamine-O,O′,N,N′)-manganese(III) chloride transition metal complex has been synthesized and characterized by elemental analysis and UV-vis spectroscopy. Its crystal structure has been determined using X-ray diffraction analysis. To provide an insight into the optical limiting (OL) behavior of the title compound, the third-order nonlinear optical (NLO) properties, one-photon absorption (OPA) and two-photon absorption (TPA) characterizations have been theoretically investigated by means of the time-dependent Hartree–Fock (TDHF), AM1 and configuration interaction (CI) methods, respectively. According to ab initio calculation results, the examined molecule exhibits second hyperpolarizabilities (γ) with non-zero values at the positions of TPA peaks, implying microscopic third-order optical nonlinearity. The maximum OPA wavelengths recorded by linear optical experiment and quantum mechanical computations are estimated in the UV region to be shorter than 400 nm, showing good optical transparency to the visible light. The TPA cross-sections (δ(ω)) at values indicate that the synthesized compound might possess OL phenomena, which are in accord with the experimental observations on the manganese complexes in the literature.
In this contribution we present the one-body dissipation dynamics in the fully three-dimensional time-dependent Hartree-Fock (TDHF) theory. The calculations were performed with modern Skyrme energy functionals plus tensor terms and without any symmetry restrictions. The energy dissipation was revealed to decrease in deep-inelastic collisions of the light systems as the bombarding energy increases owing to the competition between collective motion and single-particle degrees of freedom. The role of spin-orbit and tensor force was given particular emphasis. The spin-orbit force causes a significant enhancement of the dissipation. About 40%~65% of the total dissipation depending on the different parameter sets was predicted to arise from the spin-orbit force. The fusion cross section without tensor force overestimates the experimental value by about 25%, while the calculation with tensor force T11 has a good agreement with experimental cross section.
We show that the microscopic TDHF approach provides an important tool to shed some light on the nuclear dynamics leading to the formation of superheavy elements. In particular, we discuss studying quasifission dynamics and calculating ingredients for compound nucleus formation probability calculations.