Anisotropic valence-->core x-ray fluorescence from a [Rh(en)3][Mn(N)(CN)5]·H2O single crystal: Experimental results and density functional calculations

High resolution x-ray fluorescence spectra have been recorded for emission in different directions from a single crystal of the compound [Rh(en)3][Mn(N)(CN)5]·H2O. The spectra are interpreted by comparison with density functional theory (DFT) electronic structure calculations. The Kbeta[double-prime] line, which is strongly polarized along the Mn–N axis, can be viewed as an N(2s)-->Mn(1s) transition, and the angular dependence is understood within the dipole approximation. The so-called Kbeta2,5 region has numerous contributions but is dominated by Mn(4p) and C(2s)-->Mn(1s) transitions. Transition energy splittings are found in agreement with those of calculated occupied molecular orbitals to within 1 eV. Computed relative transition probabilities reproduce experimentally observed trends

The issue of time in generally covariant theories and the Komar-Bergmann approach to observables in general relativity

Diffeomorphism-induced symmetry transformations and time evolution are distinct operations in generally covariant theories formulated in phase space. Time is not frozen. Diffeomorphism invariants are consequently not necessarily constants of the motion. Time-dependent invariants arise through the choice of an intrinsic time, or equivalently through the imposition of time-dependent gauge fixation conditions. One example of such a time-dependent gauge fixing is the Komar-Bergmann use of Weyl curvature scalars in general relativity. An analogous gauge fixing is also imposed for the relativistic free particle and the resulting complete set time-dependent invariants for this exactly solvable model are displayed. In contrast with the free particle case, we show that gauge invariants that are simultaneously constants of motion cannot exist in general relativity. They vary with intrinsic time

Lagrangian approach to a symplectic formalism for singular systems

We develop a Lagrangian approach for constructing a symplectic structure for singular systems. It gives a simple and unified framework for understanding the origin of the pathologies that appear in the Dirac-Bergmann formalism, and offers a more general approach for a symplectic formalism, even when there is no Hamiltonian in a canonical sense. We can thus overcome the usual limitations of the canonical quantization, and perform an algebraically consistent quantization for a more general set of Lagrangian systems.Comment: 30 page

A Compact Approximate Solution to the Friedel-Anderson Impuriy Problem

An approximate groundstate of the Anderson-Friedel impurity problem is presented in a very compact form. It requires solely the optimization of two localized electron states and consists of four Slater states (Slater determinants). The resulting singlet ground state energy lies far below the Anderson mean field solution and agrees well with the numerical results by Gunnarsson and Schoenhammer, who used an extensive 1/N_{f}-expansion for a spin 1/2 impurity with double occupancy of the impurity level. PACS: 85.20.Hr, 72.15.R

Oscillations of the magnetic polarization in a Kondo impurity at finite magnetic fields

The electronic properties of a Kondo impurity are investigated in a magnetic field using linear response theory. The distribution of electrical charge and magnetic polarization are calculated in real space. The (small) magnetic field does not change the charge distribution. However, it unmasks the Kondo cloud. The (equal) weight of the d-electron components with their magnetic moment up and down is shifted and the compensating s-electron clouds don't cancel any longer (a requirement for an experimental detection of the Kondo cloud). In addition to the net magnetic polarization of the conduction electrons an oscillating magnetic polarization with a period of half the Fermi wave length is observed. However, this oscillating magnetic polarization does not show the long range behavior of Rudermann-Kittel-Kasuya-Yosida oscillations because the oscillations don't extend beyond the Kondo radius. They represent an internal electronic structure of the Kondo impurity in a magnetic field. PACS: 75.20.Hr, 71.23.An, 71.27.+

Numerical Calculation of the Fidelity for the Kondo and the Friedel-Anderson Impurities

The fidelities of the Kondo and the Friedel-Anderson (FA) impurities are calculated numerically. The ground states of both systems are calculated with the FAIR (Friedel artificially inserted resonance) theory. The ground state in the interacting systems is compared with a nullstate in which the interaction is zero. The different multi-electron states are expressed in terms of Wilson states. The use of N Wilson states simulates the use of a large effective number N_{eff} of states. A plot of ln(F) versus N\proptoln(N_{eff}) reveals whether one has an Anderson orthogonality catastrophe at zero energy. The results are at first glance surprising. The ln(F)-ln(N_{eff}) plot for the Kondo impurity diverges for large N_{eff}. On the other hand, the corresponding plot for the symmetric FA impurity saturates for large N_{eff} when the level spacing at the Fermi level is of the order of the singlet-triplet excitation energy. The behavior of the fidelity allows one to determine the phase shift of the electron states in this regime. PACS: 75.20.Hr, 71.23.An, 71.27.+a, 05.30.-

Gossip on Weighted Networks

We investigate how suitable a weighted network is for gossip spreading. The proposed model is based on the gossip spreading model introduced by Lind et.al. on unweighted networks. Weight represents "friendship." Potential spreader prefers not to spread if the victim of gossip is a "close friend". Gossip spreading is related to the triangles and cascades of triangles. It gives more insight about the structure of a network. We analyze gossip spreading on real weighted networks of human interactions. 6 co-occurrence and 7 social pattern networks are investigated. Gossip propagation is found to be a good parameter to distinguish co-occurrence and social pattern networks. As a comparison some miscellaneous networks and computer generated networks based on ER, BA, WS models are also investigated. They are found to be quite different than the human interaction networks.Comment: 8 pages, 4 figures, 1 tabl