We report on the first Skyrme-Hartree-Fock calculations with the tilted-axis cranking in the context of magnetic rotation. The mean field symmetries , differences between phenomenological and self-consistent methods and the generation of shears-like structures in the mean field are discussed. Significant role of the time-odd spin-spin effective interaction is pointed out. We reproduce the shear...

Using the recently introduced maximum overlap method and Hartree–Fock Perturbation Theory (HFPT), we compute Hartree–Fock (HF) wavefunctions for triplet 1s ns states of the helium atom. Comparison with near-exact results from Nakatsuji’s free ICI method reveals that HF theory provides a simple route to accurate energies of these Rydberg states, especially for large n. © 2009 Wiley Periodicals, ...

The quantum Monte Carlo (QMC), CASINO code was run to calculate the ground state energy for the hydrogen molecule. The variational Monte Carlo (VMC) technique was used, employing the unrestricted Hartree-Fock (UHF) method, instead of the restricted Hartree-Fock (RHF) method. By altering the VMC steps in the input parameters of the CASINO code, the best ground state energy for the hydrogen molec...

We propose a new mean-field-type framework which can treat the strong correlation induced by the tensor force. To treat the tensor correlation we break the charge and parity symmetries of a single-particle state and restore these symmetries of the total system by the projection method. We perform the charge and parity projections before variation and obtain a Hartree-Fock-like equation, which i...

Hartree-Fock calculations with the SKX Skyrme interaction are carried out to obtain a-decay Q values for deformed nuclei above Pb assuming axial symmetry. The results for even-even nuclei are compared with the experiment and with the previous calculations. Predictions are made for a-decay Q values and half-lives of even-even superheavy nuclei. The results are also compared for the recently disc...

c 2006 by John von Neumann Institute for Computing Permission to make digital or hard copies of portions of this work for personal or classroom use is granted provided that the copies are not made or distributed for profit or commercial advantage and that copies bear this notice and the full citation on the first page. To copy otherwise requires prior specific permission by the publisher mentio...

für Naturforschung in cooperation with the Max Planck Society for the Advancement of Science under a Creative Commons Attribution 4.0 International License. Dieses Werk wurde im Jahr 2013 vom Verlag Zeitschrift für Naturforschung in Zusammenarbeit mit der Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. digitalisiert und unter folgender Lizenz veröffentlicht: Creative Commons Namen...

This article concerns the time-dependent Hartree-Fock (TDHF) approximation of single-particle dynamics in systems of interacting fermions. We find that the TDHF approximation is accurate when there are sufficiently many particles and the initial manyparticle state is any Gibbs equilibrium state for noninteracting fermions (with Slater determinants as a special example). Assuming a bounded two-p...

Molecular magnetizabilities have been calculated at the Hartree-Fock level for a series of diamagnetic molecules: H20, NH3 , CH4 , PH3 , H2S, CO2 , CSO, CS2 , and C3H4 • Gauge invariance is imposed by the use of London atomic orbitals. The results are compared to those obtained with the IGLO (individual gauge for localized orbitals) method and are found to converge faster to the basis set limit...