Implications of non-feasible transformations among icosahedral hh orbitals

The symmetric group $S_6$ that permutes the six five-fold axes of an icosahedron is introduced to go beyond the simple rotations that constitute the icosahedral group $I$. Owing to the correspondence $h\leftrightarrow d$, the calculation of the Coulomb energies for the icosahedral configurations $h^N$ based on the sequence $O(5) \supset S_6 \supset S_5 \supset I$ can be brought to bear on Racah's classic theory for the atomic d shell based on $SO(5) \supset SO_L(3) \supset I$. Among the elements of $S_6$ is the kaleidoscope operator ${\cal K}$ that rotates the weight space of SO(5) by $\pi/2$. Its use explains some puzzling degeneracies in d^3 involving the spectroscopic terms ^2P, ^2F, ^2G and ^2H.Comment: Tentatively scheduled to appear in Physical Preview Letters Apr 5, 99. Revtex, 1 ps figur

Multipole decomposition of LDA+UU energy and its application to actinides compounds

A general reformulation of the exchange energy of $5f$-shell is applied in the analysis of the magnetic structure of various actinides compounds in the framework of LDA+U method. The calculations are performed in an efficient scheme with essentially only one free parameter, the screening length. The results are analysed in terms of different polarisation channels, due to different multipoles. Generally it is found that the spin-orbital polarisation is dominating. This can be viewed as a strong enhancement of the spin-orbit coupling in these systems. This leads to a drastic decrease in spin polarisation, in accordance with experiments. The calculations are able to correctly differentiate magnetic and non-magnetic Pu system. Finally, in all magnetic systems a new multipolar order is observed, whose polarisation energy is often larger in magnitude than that of spin polarisation.Comment: Fixed some references and picture

Alternative Mathematical Technique to Determine LS Spectral Terms

We presented an alternative computational method for determining the permitted LS spectral terms arising from $l^N$ electronic configurations. This method makes the direct calculation of LS terms possible. Using only basic algebra, we derived our theory from LS-coupling scheme and Pauli exclusion principle. As an application, we have performed the most complete set of calculations to date of the spectral terms arising from $l^N$ electronic configurations, and the representative results were shown. As another application on deducing LS-coupling rules, for two equivalent electrons, we deduced the famous Even Rule; for three equivalent electrons, we derived a new simple rule.Comment: Submitted to Phys. Rev.

An efficient approach for spin-angular integrations in atomic structure calculations

A general method is described for finding algebraic expressions for matrix elements of any one- and two-particle operator for an arbitrary number of subshells in an atomic configuration, requiring neither coefficients of fractional parentage nor unit tensors. It is based on the combination of second quantization in the coupled tensorial form, angular momentum theory in three spaces (orbital, spin and quasispin), and a generalized graphical technique. The latter allows us to calculate graphically the irreducible tensorial products of the second quantization operators and their commutators, and to formulate additional rules for operations with diagrams. The additional rules allow us to find graphically the normal form of the complicated tensorial products of the operators. All matrix elements (diagonal and non-diagonal with respect to configurations) differ only by the values of the projections of the quasispin momenta of separate shells and are expressed in terms of completely reduced matrix elements (in all three spaces) of the second quantization operators. As a result, it allows us to use standard quantities uniformly for both diagona and off-diagonal matrix elements

Two-Center Integrals for r_{ij}^{n} Polynomial Correlated Wave Functions

All integrals needed to evaluate the correlated wave functions with polynomial terms of inter-electronic distance are included. For this form of the wave function, the integrals needed can be expressed as a product of integrals involving at most four electrons

Characterization of anomalous Zeeman patterns in complex atomic spectra

The modeling of complex atomic spectra is a difficult task, due to the huge number of levels and lines involved. In the presence of a magnetic field, the computation becomes even more difficult. The anomalous Zeeman pattern is a superposition of many absorption or emission profiles with different Zeeman relative strengths, shifts, widths, asymmetries and sharpnesses. We propose a statistical approach to study the effect of a magnetic field on the broadening of spectral lines and transition arrays in atomic spectra. In this model, the sigma and pi profiles are described using the moments of the Zeeman components, which depend on quantum numbers and Land\'{e} factors. A graphical calculation of these moments, together with a statistical modeling of Zeeman profiles as expansions in terms of Hermite polynomials are presented. It is shown that the procedure is more efficient, in terms of convergence and validity range, than the Taylor-series expansion in powers of the magnetic field which was suggested in the past. Finally, a simple approximate method to estimate the contribution of a magnetic field to the width of transition arrays is proposed. It relies on our recently published recursive technique for the numbering of LS-terms of an arbitrary configuration.Comment: submitted to Physical Review

Multipolar Interactions in the Anderson Lattice with Orbital Degeneracy

Microscopic investigation is performed for intersite multipolar interactions in the orbitally degenerate Anderson lattice, with CeB$_6$ taken as an exemplary target. In addition to the $f^0$ intermediate state, $f^2$ Hund's-rule ground states are included as intermediate states for the interactions. The conduction-band states are taken as plane waves and the hybridization as spherically symmetric. The spatial dependences of multipolar interactions are given by the relative weight of partial wave components along the pair of sites. It is clarified how the the anisotropy arises in the interactions depending on the orbital degeneracy and the spatial configuration. The stability of the $\Gamma_5$ antiferro-quadrupole order in the phase II of CeB$_6$ is consistent with our model. Moreover, the pseudo-dipole interactions follow a tendency required by the phenomenological model for the phase III.Comment: 30 pages, 4 figure

Improved Procedures for Purification of the Bandeiraea simplicifolia I Isolectins and Bandeiraea simplicifolia II Lectin by Affinity Chromatography

Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/66350/1/j.1432-1033.1980.tb07197.x.pd

Structural analysis of the Ss sialoglycoprotein specific for Henshaw blood group from human erythrocyte membranes

Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/66122/1/j.1432-1033.1984.tb08155.x.pd

Coordinated Tax-Tariff Reforms, Informality, and Welfare Distribution

The paper studies the revenue, efficiency, and distributional implications of a simple strategy of offsetting tariff reductions with increases in destination-based consumption taxes so as to leave consumer prices unchanged. We employ a dynamic micro-founded macroeconomic model of a small open developing economy, which features an informal sector that cannot be taxed, a formal agricultural sector, and an import-substitution sector. The reform strategy increases government revenue, imports, exports, and the informal sector. In contrast to Emran and Stiglitz (2005), who ignore the dynamic effects of taxes and tariffs on factor markets, we find an efficiency gain, which is unevenly distributed. Existing generations benefit more than future generations, who (depending on pre-existing tax and tariff rates and the informal sector size) even may become worse off