Single nucleon potential and effective mass with ground state correlations in hot nuclear matter

In the framework of the finite temperature Brueckner-Hartree-Fock approach including the contribution of the microscopic three-body force, the single nuclear potential and the nucleon effective mass in hot nuclear matter at various temperatures and densities have been calculated by using the hole-line expansion for mass operator, and the effects of the three-body forces and the ground state correlations on the single nucleon potential have been investigated. It is shown that both the ground state correlations and the three-body force affect considerably the density and temperature dependence of the single nucleon potential. The rearrangement correction in the single nucleon potential is repulsive and it reduces remarkably the attraction of the single nucleon potential in the low-momentum region. The rearrangement contribution due to the ground state correlations becomes smaller as the temperature rises up and becomes larger as the density increases. The effect of the three-body force on the ground state correlations is to reduce the contribution of rearrangement. At high densities, the single nucleon potential containing both the rearrangement correction and the contribution of the three-body force becomes more repulsive as the temperature increases.

Ground state of lutetium dimer by density functional methods

Bond distances, vibrational frequencies and dissociation energies for the ground state of Lu-2 were studied by density functional methods B3LYP, B3PW91, BLYP, BHLYP, BP86, B3P86, MPW1PW91, PBE1PBE and SVWN with CEP-121G and SDD basis sets. Singlet state is predicted to be the most stable. CEP-121G has a better overall performance than SDD. At CEP-121G basis set, all density functional methods used in this study perform well in reproducing the spectroscopic constants.

Dedicated global optimization search for ground state silica nanoclusters: (SiO2)(N) (N=6-12)

Flikkema, E., & Bromley, S. T. (2004). Dedicated global optimization search for ground state silica nanoclusters: (SiO2)(N) (N=6-12). Journal of Physical Chemistry B, 108 (28), 9638-9645. RAE2008

Accurate ground-state potential energy surfaces of the C2H2–Kr and C2H2–Xe van der Waals complexes

Accurate ab initio intermolecular potential energy surfaces (IPES) have been obtained for the first time for the ground electronic state of the C 2H2-Kr and C2H2-Xe van der Waals complexes. Extensive tests, including complete basis set and all-electron scalar relativistic results, support their calculation at the CCSD(T) level of theory, using small-core relativistic pseudopotentials for the rare-gas atoms and aug-cc-pVQZ basis sets extended with a set of 3s3p2d1f1g mid-bond functions. All results are corrected for the basis set superposition error. The importance of the scalar relativistic and rare-gas outer-core (n.1)d correlation effects is investigated. The calculated IPES, adjusted to analytical functions, are characterized by global minima corresponding to skew T-shaped geometries, in which the Jacobi vector positioning the rare-gas atom with respect to the center of mass of the C2H2 moiety corresponds to distances of 4.064 and 4.229Å, and angles of 65.22° and 68.67° for C 2H2-Kr and C2H2-Xe, respectively. The interaction energy of both complexes is estimated to be -151.88 (1.817 kJ mol-1) and -182.76 cm-1 (2.186 kJ mol-1), respectively. The evolution of the topology of the IPES as a function of the rare-gas atom, from He to Xe, is also discussed. © 2012 Taylor and Francis.

Revealing the effect of angular correlation in the ground-state He wavefunction: a coincidence study of the transfer ionization process

A joint theoretical-experimental study of the transfer ionization process p + He -> H-0 + He2+ + e(-) is presented. For the first time all particles in the final state have been detected in triple coincidence. This fully differential measurement is in good agreement with a theoretical model where the target is described by a wavefunction containing both radial and angular correlation terms.

State-selective one-electron capture by slow state-prepared N2+(P-2) ground-state ions in collisions with hydrogen atoms

The technique of double translational energy spectroscopy.(DTES), recently successfully developed in this laboratory for use with targets of atomic hydrogen, has been used to study one-electron capture by ground-state N2+(2s22p)(2)p(0) ions in collisions with hydrogen atoms at energies within the range 0.8-6.0 keV. Cross sections for the formation of the main excited product channels have been determined. The measurements allow a re-evaluation of our previous TES measurements carried out with N2+ primary beams containing an admixture of metastable N2+(2s2p2)(4)p ions. The main findings of these earlier measurements are confirmed and the DTES measurements now remove any ambiguity in interpretation of the experimental data. While recent theoretical studies correctly predict the two main N+ D-3(0) and P-3(0) product channels, the quantitative agreement with experiment is only partially satisfactory.

Two-electron QED contributions to the ground-state binding energy in He-like Kr34+ ions

The two-electron QED contributions to the ground-state binding energy of Kr34+ ions have been determined in two independent experiments performed with electron beam ion traps (EBIT) in Heidelberg (HD) and Tokyo (BT, Belfast-Tokyo collaboration). X rays arising from radiative recombination (RR) of free electrons to the ground state of initially bare Kr36+ and hydrogenlike Kr35+ ions were observed as a function of the interacting electron energy. The K edge absorption by thin Eu and W foils provided fixed photon energy references used to measure the difference in binding energy Delta E-2e between the H- and He-like Kr ions (Kr35+ and Kr34+, respectively). The two values agree well, yielding a final result of Delta E-2e=641.8 +/- 1.7 eV, confirming recent results of rigorous QED calculations. This accuracy is just of the order required to access screened radiative QED contributions.

Application to argon ions of a new technique to measure the two-electron contribution to the ground state energy of helium-like ions

We have measured the two-electron contribution of the ground state energy of helium-like argon ions using an electron beam ion trap (EBIT). A two-dimensional map was measured showing the intensity of x-rays from the trap passing through a krypton-filled absorption cell. The independent axes of this map were electron beam energy and x-ray energy. From this map, we deduced the two-electron contribution of the ground state of helium-like argon. This experimentally determined Value (312.4 +/- 9.5 eV) was found to be in good agreement with our calculated values (about 303.35 eV) and previous calculations of the same quantity. Based on these measurements, we have shown that a ten-day absorption spectroscopy run with a super-EBIT should be sufficient to provide a new benchmark value for the two-electron contribution to the ground state of helium-like krypton. Such a measurement would then constitute a test of quantum electrodynamics to second order.