Interaction and Localization of One-electron Orbitals in an Organic Molecule: Fictitious Parameter Analysis for Multi-physics Simulations

We present a new methodology to analyze complicated multi-physics simulations by introducing a fictitious parameter. Using the method, we study quantum mechanical aspects of an organic molecule in water. The simulation is variationally constructed from the ab initio molecular orbital method and the classical statistical mechanics with the fictitious parameter representing the coupling strength between solute and solvent. We obtain a number of one-electron orbital energies of the solute molecule derived from the Hartree-Fock approximation, and eigenvalue-statistical analysis developed in the study of nonintegrable systems is applied to them. Based on the results, we analyze localization properties of the electronic wavefunctions under the influence of the solvent.Comment: 4 pages, 5 figures, the revised version will appear in J. Phys. Soc. Jpn. Vol.76 (No.1

Towards unravelling the structural distribution of ultra-high-energy cosmic ray sources

We investigate the possibility that near future observations of ultra-high-energy cosmic rays (UHECRs) can unveil their local source distribution, which reflects the observed local structures if their origins are astrophysical objects. In order to discuss this possibility, we calculate the arrival distribution of UHE protons taking into account their propagation process in intergalactic space i.e. energy losses and deflections by extragalactic magnetic field (EGMF). For a realistic simulation, we construct and adopt a model of a structured EGMF and UHECR source distribution, which reproduce the local structures actually observed around the Milky Way. The arrival distribution is compared statistically to their source distribution using correlation coefficient. We specially find that UHECRs above $10^{19.8}$eV are best indicators to decipher their source distribution within 100 Mpc, and detection of about 500 events on all the sky allows us to unveil the local structure of UHE universe for plausible EGMF strength and the source number density. This number of events can be detected by five years observation by Pierre Auger Observatory.Comment: 7pages, 4 figures, submitted to Ap

Quantum Markov Process on a Lattice

We develop a systematic description of Weyl and Fano operators on a lattice phase space. Introducing the so-called ghost variable even on an odd lattice, odd and even lattices can be treated in a symmetric way. The Wigner function is defined using these operators on the quantum phase space, which can be interpreted as a spin phase space. If we extend the space with a dichotomic variable, a positive distribution function can be defined on the new space. It is shown that there exits a quantum Markov process on the extended space which describes the time evolution of the distribution function.Comment: Lattice2003(theory

Linear response theory in the continuum for deformed nuclei: Green's function vs. time-dependent Hartree-Fock with the absorbing-boundary condition

The continuum random-phase approximation is extended to the one applicable to deformed nuclei. We propose two different approaches. One is based on the use of the three dimensional (3D) Green's function and the other is the small-amplitude TDHF with the absorbing-boundary condition. Both methods are based on the 3D Cartesian grid representation and applicable to systems without any symmetry on nuclear shape. The accuracy and identity of these two methods are examined with the BKN interaction. Using the full Skyrme energy functional in the small-amplitude TDHF approach, we study the isovector giant dipole states in the continuum for O-16 and for even-even Be isotopes.Comment: 15 pages, 8 figure

Cross-Correlation between UHECR Arrival Distribution and Large-Scale Structure

We investigate correlation between the arrival directions of ultra-high-energy cosmic rays (UHECRs) and the large-scale structure (LSS) of the Universe by using statistical quantities which can find the angular scale of the correlation. The Infrared Astronomical Satellite Point Source Redshift Survey (IRAS PSCz) catalog of galaxies is adopted for LSS. We find a positive correlation of the highest energy events detected by the Pierre Auger Observatory (PAO) with the IRAS galaxies inside $z=0.018$ within the angular scale of $\sim 15^{\circ}$. This positive correlation observed in the southern sky implies that a significant fraction of the highest energy events comes from nearby extragalactic objects. We also analyze the data of the Akeno Giant Air Shower Array (AGASA) which observed the northern hemisphere, but the obvious signals of positive correlation with the galaxy distribution are not found. Since the exposure of the AGASA is smaller than the PAO, the cross-correlation in the northern sky should be tested using a larger number of events detected in the future. We also discuss the correlation using the all-sky combined data sets of both the PAO and AGASA, and find a significant correlation within $\sim 8^{\circ}$. These angular scales can constrain several models of intergalactic magnetic field. These cross-correlation signals can be well reproduced by a source model in which the distribution of UHECR sources is related to the IRAS galaxies.Comment: 21 pages,7 figure

Longitudinal magnetic excitation in KCuCl3 studied by Raman scattering under hydrostatic pressures

We measure Raman scattering in an interacting spin-dimer system KCuCl3 under hydrostatic pressures up to 5 GPa mediated by He gas. In the pressure-induced quantum phase, we observe a one-magnon Raman peak, which originates from the longitudinal magnetic excitationand is observable through the second-order exchange interaction Raman process. We report the pressure dependence of the frequency, halfwidth and Raman intensity of this mode.Comment: 4 pages, 3 figures, inpress in JPCS as a proceeding of LT2