Utilizing Symmetry Coupling Schemes in Ab Initio Nuclear Structure Calculations
نویسندگان
چکیده
We report on ab initio no-core shell model calculations in a symmetryadapted SU(3)-based coupling scheme that demonstrate that collective modes in p-shell nuclei emerge from first principles. The low-lying states of Li, He, Be, B, C, and O, are shown to exhibit orderly patterns that favor spatial configurations with strong quadrupole deformation and complementary low intrinsic spin values, a picture that is consistent with the nuclear symplectic model. The results also suggest a pragmatic path forward to accommodate deformation-driven collective features in ab initio analyses when they dominate the nuclear landscape.
منابع مشابه
Antimalarial Activity of some Conjugated Arylhydrazones: Ab Initio Calculation of Nuclear Quadrupole Coupling Constants (NQCC)
“Malaria” is a life-threatening blood disease in tropical regions that spreads by the bite of the Anopheles mosquito. Antimalarial medications are designed to cure or prevent this infection, and prosperous achievements in this area mostly depend on the knowing the drug-receptor interactions and active sites of medicine. This improvement can be achieved through understanding the electronic struc...
متن کاملComparison of metal additives and Boron atom on MgH2 absorbing-desorbing characteristics using calculated NQCCs
Using ab initio calculations, the hydrogen desorption from Magnesium hydride (MgH2) was studied. We presented the calculated nuclear quadrupole coupling constants (NQCCs) of hydrogen atom in various systems of MgH2. The effect of interactions of some metal atoms as well as Boron atom with MgH2 host matrix; (MgH2+M) nanostructures (M=Al, Ti, V, Fe, Ni ...
متن کاملComparison of metal additives and Boron atom on MgH2 absorbing-desorbing characteristics using calculated NQCCs
Using ab initio calculations, the hydrogen desorption from Magnesium hydride (MgH2) was studied. We presented the calculated nuclear quadrupole coupling constants (NQCCs) of hydrogen atom in various systems of MgH2. The effect of interactions of some metal atoms as well as Boron atom with MgH2 host matrix; (MgH2+M) nanostructures (M=Al, Ti, V, Fe, Ni ...
متن کاملAn Ab initio and chemical shielding tensors calculations for Nucleotide 5’-Monophosphates in the Gas phase
Structural and magnetic properties of purine and pyrimidine nucleotides (CMP, UMP, dTMP, AMP, GMP, IMP) were studied at different levels of ab initio molecular orbital theory. These calculations were performed at the hartree-fock level and density functional B3LYP methods. Geometries were fully optimized by following Cs symmetry restrictions. The standard 6-31G** basis set which includes polari...
متن کاملAB Initio Calculations of NMR Spectra for H20114C9N4 As A New Nanosemiconductor Molecule
BCN compounds have been researched theoretically and experimentally widely. In this paper, weintroduce the theoretical prediction of ternary B-C-N compounds. NMR spectroscopy was employedextensively to study these ternary nanostructures. We discuss the utilization of chemical shiftinformation as well as ab initio calculations of nuclear shielding for H20134C9N4 structuredetermination. We calcul...
متن کامل