The nuclear structure for some target nuclei namely: 32S, 58Ni, 89Y, 90Zr, 100Mo and 197Au used for production of the therapeutic radionuclides;32P, 58Co, 89Sr, 90Y, 99Mo, 100Tc, 197Pt and 197Hg has been investigated ...The nuclear structure for some target nuclei namely: 32S, 58Ni, 89Y, 90Zr, 100Mo and 197Au used for production of the therapeutic radionuclides;32P, 58Co, 89Sr, 90Y, 99Mo, 100Tc, 197Pt and 197Hg has been investigated using Skyrme-Hartree-Fock method based on Skyrme effective two-body interaction. For these purpose, we have calculated the various nuclear densities, the corresponding root mean square radii and nuclear binding energies. The density dependent initial neutron and proton exciton numbers have been also calculated which give the ability to investigate the neutron and proton induced reaction cross-sections for these target nuclei using hybrid model for pre-equilibrium nuclear reactions. The calculated results are compared with available experimental data.展开更多
The Hartree-Fock equation is non-linear and has, in principle, multiple solutions. The ωth HF extreme and its associated virtual spin-orbitals furnish an orthogonal base Bω of the full configuration interaction spac...The Hartree-Fock equation is non-linear and has, in principle, multiple solutions. The ωth HF extreme and its associated virtual spin-orbitals furnish an orthogonal base Bω of the full configuration interaction space. Although all Bω bases generate the same CI space, the corresponding configurations of each Bω base have distinct quantum-mechanical information contents. In previous works, we have introduced a multi-reference configuration interaction method, based on the multiple extremes of the Hartree-Fock problem. This method was applied to calculate the permanent electrical dipole and quadrupole moments of some small molecules using minimal and double, triple and polarized double-zeta bases. In all cases were possible, using a reduced number of configurations, to obtain dipole and quadrupole moments in close agreement with the experimental values and energies without compromising the energy of the state function. These results show the positive effect of the use of the multi-reference Hartree-Fock bases that allowed a better extraction of quantum mechanical information from the several Bω bases. But to extend these ideas for larger systems and atomic bases, it is necessary to develop criteria to build the multireference Hartree-Fock bases. In this project, we are beginning a study of the non-uniform distribution of quantum-mechanical information content of the Bω bases, searching identify the factors that allowed obtain the good results cited展开更多
In this paper, by using the method of moving planes, we are concerned with the symmetry and monotonicity of positive solutions for the fractional Hartree equation.
The self-consistent Hartree-Fock equation for the He atom is solved using the pseudospectral method. The Feshbach- type autoionization resonance parameters for doubly excited 2s2, 3s2, and 4s2 IS states of He have bee...The self-consistent Hartree-Fock equation for the He atom is solved using the pseudospectral method. The Feshbach- type autoionization resonance parameters for doubly excited 2s2, 3s2, and 4s2 IS states of He have been determined by adding a complex absorbing potential to the Hamiltonian. The Riss-Meyer iterative and Pad6 extrapolation methods are applied to obtain reliable values for the autoionization resonance parameters, which are compared to previous results in the literature.展开更多
The calculation for ten even-even nuclei of transitional nuclei Zn,Ge,Se andKr is performed by using KB-Ⅱ matrix elements and deformed Hartree-Fock method,and ensuing solutions of the prolate,oblate and particle-hole...The calculation for ten even-even nuclei of transitional nuclei Zn,Ge,Se andKr is performed by using KB-Ⅱ matrix elements and deformed Hartree-Fock method,and ensuing solutions of the prolate,oblate and particle-hole excited configurations ofthese nuclei are obtained.The results show that there are shape transitions and shapecoexistence in A≈70 nucleus region,the single-particle energy levels are different notonly for different mass numbers of the nuclei but also for different configurations.展开更多
QUANTUM Monte Carlo (QMC) approach has already been successfully utilized in quantumchemistry. However, QMC algorithm brings statistical errors that are sharply increasedas the investigated system is enlarged. We prop...QUANTUM Monte Carlo (QMC) approach has already been successfully utilized in quantumchemistry. However, QMC algorithm brings statistical errors that are sharply increasedas the investigated system is enlarged. We proposed in terms of correlated sampling a novel al-gorithm with a better precision and a smaller error. However, the modified QMC methodproposed has still two problems: (i) the 'random term' in the process of calculation is un-展开更多
文摘The nuclear structure for some target nuclei namely: 32S, 58Ni, 89Y, 90Zr, 100Mo and 197Au used for production of the therapeutic radionuclides;32P, 58Co, 89Sr, 90Y, 99Mo, 100Tc, 197Pt and 197Hg has been investigated using Skyrme-Hartree-Fock method based on Skyrme effective two-body interaction. For these purpose, we have calculated the various nuclear densities, the corresponding root mean square radii and nuclear binding energies. The density dependent initial neutron and proton exciton numbers have been also calculated which give the ability to investigate the neutron and proton induced reaction cross-sections for these target nuclei using hybrid model for pre-equilibrium nuclear reactions. The calculated results are compared with available experimental data.
文摘The Hartree-Fock equation is non-linear and has, in principle, multiple solutions. The ωth HF extreme and its associated virtual spin-orbitals furnish an orthogonal base Bω of the full configuration interaction space. Although all Bω bases generate the same CI space, the corresponding configurations of each Bω base have distinct quantum-mechanical information contents. In previous works, we have introduced a multi-reference configuration interaction method, based on the multiple extremes of the Hartree-Fock problem. This method was applied to calculate the permanent electrical dipole and quadrupole moments of some small molecules using minimal and double, triple and polarized double-zeta bases. In all cases were possible, using a reduced number of configurations, to obtain dipole and quadrupole moments in close agreement with the experimental values and energies without compromising the energy of the state function. These results show the positive effect of the use of the multi-reference Hartree-Fock bases that allowed a better extraction of quantum mechanical information from the several Bω bases. But to extend these ideas for larger systems and atomic bases, it is necessary to develop criteria to build the multireference Hartree-Fock bases. In this project, we are beginning a study of the non-uniform distribution of quantum-mechanical information content of the Bω bases, searching identify the factors that allowed obtain the good results cited
基金supported by NSFC(11761082)Yunnan Province,Young Academic and Technical Leaders Program(2015HB028)
文摘In this paper, by using the method of moving planes, we are concerned with the symmetry and monotonicity of positive solutions for the fractional Hartree equation.
文摘The self-consistent Hartree-Fock equation for the He atom is solved using the pseudospectral method. The Feshbach- type autoionization resonance parameters for doubly excited 2s2, 3s2, and 4s2 IS states of He have been determined by adding a complex absorbing potential to the Hamiltonian. The Riss-Meyer iterative and Pad6 extrapolation methods are applied to obtain reliable values for the autoionization resonance parameters, which are compared to previous results in the literature.
文摘The calculation for ten even-even nuclei of transitional nuclei Zn,Ge,Se andKr is performed by using KB-Ⅱ matrix elements and deformed Hartree-Fock method,and ensuing solutions of the prolate,oblate and particle-hole excited configurations ofthese nuclei are obtained.The results show that there are shape transitions and shapecoexistence in A≈70 nucleus region,the single-particle energy levels are different notonly for different mass numbers of the nuclei but also for different configurations.
文摘QUANTUM Monte Carlo (QMC) approach has already been successfully utilized in quantumchemistry. However, QMC algorithm brings statistical errors that are sharply increasedas the investigated system is enlarged. We proposed in terms of correlated sampling a novel al-gorithm with a better precision and a smaller error. However, the modified QMC methodproposed has still two problems: (i) the 'random term' in the process of calculation is un-
