Mean single-particle potentials and single-particle energies in a microscopic model of the nucleus

A method for calculating mean single-particle potentials and the corresponding single-particle energy levels in nuclei is presented. Specific formulas for these quantities are written for Slater determinant wave functions in the case of polarized orbitals and a central exchange nucleon-nucleon potential featuring a Gaussian radial dependence. The resulting theoretical estimates of single-particle properties of the nuclei considered in the present study are in satisfactory agreement with relevant experimental data.     

Effect of electron-phonon interaction on optical response in one-dimensional cuprates

We examine the single-particle excitation and linear optical absorption spectra in the one-dimensional (1D) extended Hubbard-Holstein model. We perform dynamical density matrix renormalization group calculations with use of pseudo-site representation of phonons. We focus on the interplay among phonons and elementary excitations in 1D Mott insulators. The excitations in the Mott insulators are easily modified by the phonons. We discuss implications of the present results in light of spectroscopic measurements in 1D cuprates.     

Is the nuclear spin-orbit interaction changing with neutron excess?

The difference in the energies of the lowest states corresponding to the two nodeless single-particle orbitals outside the Z=50 closed proton shell, h(11/2) and g(7/2), increases with neutron excess. We have measured the Sn(alpha,t) reaction for all seven stable even Sn isotopes and found that the spectroscopic factors are constant for these two states, confirming their characterization as single-particle states. The trend in energies is consistent with a decrease in the nuclear spin-orbit interaction. A similar trend, also suggesting a decreasing spin-orbit splitting, is seen in the energies of the neutron single-particle states outside the N=82 core, i(13/2) and h(9/2).     

The symmetric heavy-light ansatz

The symmetric heavy-light ansatz is a method for finding the ground state of any dilute unpolarized system of attractive two-component fermions. Operationally it can be viewed as a generalization of the Kohn-Sham equations in density functional theory applied to N -body density correlations. While the original Hamiltonian has an exact Z₂ symmetry, the heavy-light ansatz breaks this symmetry by skewing the mass ratio of the two components. In the limit where one component is infinitely heavy, the many-body problem can be solved in terms of single-particle orbitals. The original Z₂ symmetry is recovered by enforcing Z₂ symmetry as a constraint on N -body density correlations for the two components. For the 1D, 2D, and 3D attractive Hubbard models the method is in very good agreement with exact Lanczos calculations for few-body systems at arbitrary coupling. For the 3D attractive Hubbard model there is very good agreement with lattice Monte Carlo results for many-body systems in the limit of infinite scattering length.     

Momentum distributions for model nuclear matter

The occupation probability for single-particle orbitals corresponding to a state-independent Jastrow-Slater wavefunction is evaluated for two semi-realistic models of nuclear matter within the framework of Fermi hypernetted-chain theory.     

On the magnitude of single-particle proton and neutron separation energies in the chains of isotopes and isotones near closed shells

Single-particle separation energies of protons or neutrons in nuclei near the closed shells are examined in the chains of isotopes or isotones. From the observed dependences we determine spins and parities of the single-particle orbitals and their sequence in nuclei far from the stability line, where direct experimental information on single-particle characteristics is not available at present.Received: 18 November 2003, Published online: 26 May 2004PACS: 21.10.Dr Binding energies and masses - 21.60.Cs Shell model - 21.10.Pc Single-particle levels and strength functions     

Pseudogap in doped Mott insulators is the near-neighbor analogue of the Mott gap

We show that the strong-coupling physics inherent to the insulating Mott state in 2D leads to a jump in the chemical potential upon doping and the emergence of a pseudogap in the single-particle spectrum below a characteristic temperature. The pseudogap arises because any singly occupied site not immediately neighboring a hole experiences a maximum energy barrier for transport equal to t(2)/U, t the nearest-neighbor hopping integral and U the on-site repulsion. The resultant pseudogap cannot vanish before each lattice site, on average, has at least one hole as a near neighbor. The ubiquity of this effect in all doped Mott insulators suggests that the pseudogap in the cuprates has a simple origin.     

Effects of Coulomb interactions on spin states in vertical semiconductor quantum dots

The effects of direct Coulomb and exchange interactions on spin states are studied for quantum dots contained in circular and rectangular mesas. For a circular mesa a spin-triplet favored by these interactions is observed at zero and nonzero magnetic fields. We tune and measure the relative strengths of these interactions as a function of the number of confined electrons. We find that electrons tend to have parallel spins when they occupy nearly degenerate single-particle states. We use a magnetic field to adjust the single-particle state degeneracy, and find that the spin-configurations in an arbitrary magnetic field are well explained in terms of two-electron singlet and triplet states. For a rectangular mesa we observe no signatures of the spin-triplet at zero magnetic field. Due to the anisotropy in the lateral confinement single-particle state degeneracy present in the circular mesa is lifted, and Coulomb interactions become weak. We evaluate the degree of the anisotropy by measuring the magnetic field dependence of the energy spectrum for the ground and excited states, and find that at zero magnetic field the spin-singlet is more significantly favored by the lifting of level degeneracy than by the reduction in the Coulomb interaction. We also find that the spin-triplet is recovered by adjusting the level degeneracy with magnetic field. Received: 14 April 2000 / Accepted: 17 April 2000 / Published online: 6 September 2000     

The determination of the dynamic structures of atoms and molecules using the (e, 2e) reaction

In the (e, 2e) experiment a beam of electrons intersects a beam of slowly moving atoms or molecules, and pairs of emerging electrons are detected, in coincidence, at measured energies and angles. The momentum transfer distribution is closely related to the single-particle momentum distribution for a particular quantum state of the scattering molecule. The relative cross sections for different quantum states contain information about the relationship of single-particle orbitals to the many-body wave-function. The theoretical basis for interpretation is presented and shown to be self-consistent. The results for several experimental studies of atomic and molecular structure are analysed and the potential for further studies is discussed.     

Mean-field effects on neutrinoless double beta decay

Mean-field effects on the nuclear matrix elements involved in the neutrinoless double beta (0νββ) decay of several double-electron and double-positron emitters have been studied within the framework of the relativistic quark-confinement model and the quasiparticle random-phase approximation. The single-particle energies of the model space have been generated both by using the standard Woods-Saxon parametrization of the mean field and adjusting the quasiparticle spectra with the data from neutron- and proton-odd nuclei. The 0νββ rates are found to be much less affected by the energies of the mean-field orbitals than the rates of the two-neutrino double beta decay. The present study suggests that the extracted effective neutrino masses vary within a factor of two when using different realistic single-particle bases in the calculations.     

Gas-liquid instability in the many-fermion system and the breakdown of perturbation theory based on the plane-wave Hartree-Fock hamiltonian

The unambiguous breakdown of a perturbation series for the ground state properties of a quantum liquid of interacting fermions, based on an unperturbed single-particle hamiltonian defined self-consistently in terms of plane-wave orbitals, is discussed and related to the gas-liquid phase transition.     

Quantum Monte Carlo calculation for the neutron-rich Ca isotopes

We computed ground-state energies of calcium isotopes from ⁴²Ca to ⁴⁸Ca by means of the Auxiliary Field Diffusion Monte Carlo (AFDMC) method. Calculations were performed by replacing the ⁴⁰Ca core with a mean-field self-consistent potential computed using the Skyrme interaction. The energy of the external neutrons is calculated by projecting the ground state from a wave function built with the single-particle orbitals computed in the self-consistent external potential. The shells considered were the 1F _7/2 and the 1F _5/2 . The Hamiltonian employed is semi-realistic and includes tensor, spin-orbit and three-body forces. While absolute binding energies are too deep if compared with experimental data, the differences between the energies for nearly all isotopes are in very good agreement with the experimental data.     

Forward scattering approximation and bosonization in integer quantum Hall systems

In this work, we present a model and a method to study integer quantum Hall (IQH) systems. Making use of the Landau levels structure we divide these two-dimensional systems into a set of interacting one-dimensional gases, one for each guiding center. We show that the so-called strong field approximation, used by Kallin and Halperin and by MacDonald, is equivalent, in first order, to a forward scattering approximation and analyze the IQH systems within this approximation. Using an appropriate variation of the Landau level bosonization method we obtain the dispersion relations for the collective excitations and the single-particle spectral functions. For the bulk states, these results evidence a behavior typical of non-normal strongly correlated systems, including the spin-charge splitting of the single-particle spectral function. We discuss the origin of this behavior in the light of the Tomonaga-Luttinger model and the bosonization of two-dimensional electron gases.     

Deformed nuclear halos

Deformation properties of weakly bound nuclei are discussed in the deformed single-particle model. It is demonstrated that in the limit of a very small binding energy the valence particles in specific orbitals, characterized by a very small projection of single-particle angular momentum onto the symmetry axis of a nucleus, can give rise to the halo structure which is completely decoupled from the rest of the system. The quadrupole deformation of the resulting halo is completely determined by the intrinsic structure of a weakly bound orbital, irrespective of the shape of the core.     

Spectroscopic properties and electronic structure of uranyl complex compounds (Review)

Fundamental problems of the photophysics of uranyl complex compounds are considered. Works on the spectroscopy of uranyl compunds in a wide spectral range from the visible to the vacuum UV region of the spectrum are reviewed. The characteristics of their electronic structure are discussed. It is shown that the optical properties of uranyl compounds are determined by electronic transitions from three occupied molecular orbitals. The highest occupied orbital of the uranyl complex is predominantly ligand in character; the lower-lying occupied orbitals have a significant contribution from uranyl orbitals. Intiation of electronic transitions from shielded valent orbitals increases the probability of nonradiative deactivation of electronic excitation of the uranyl complex. Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 65, No. 6, pp. 818–831, November–December, 1998     

Three-step model for high-harmonic generation in many-electron systems

The three-step model (TSM) of high-harmonic generation (HHG) is generalized to atomic and molecular many-electron systems. Using many-body perturbation theory, corrections to the standard TSM due to exchange and electron-electron correlations are derived. It is shown that canonical Hartree-Fock orbitals represent the most appropriate set of one-electron states for calculating the HHG spectrum. To zeroth order in many-body perturbation theory, a HHG experiment allows direct access, in general, to a combination of occupied Hartree-Fock orbitals rather than to the highest occupied molecular orbital by itself.     

Optical properties of thiol terminated biphenyloxazole ordered monolayers on gold surface

New thiol terminated biphenyloxazole molecules are synthesized. A self assembled monolayer has been prepared on gold surface and spectral and luminescent properties of free molecules and ordered films have been studied experimentally and theoretically (DFT). The luminescence polarization degree is about 40%. New absorption and luminescence bands have been found experimentally and confirmed theoretically. The highest occupied and the lowest unoccupied molecular orbitals of adsorbed molecules strongly differ from not adsorbed thiol molecules.