Cluster-model study of the interaction of halogen atoms with Ag clusters

Analysis of ab initio wave functions shows that the interaction between halogen atoms (F, Cl, and Br) and Ag clusters is ionic, and that the halogen ionicity is essentially ?1. The interaction and the bonding arise, almost entirely, from the Coulomb attraction between the charged halogen and the metal and from polarization of the two subunits. Large shifts in equilibrium bond distances and vibrational energies are caused by an external electric field. These changes arise from a dominant Stark effect.     

Experimental observation of exciton surface polaritons on a polymerized diacetylene crystal

Exciton surface polaritons (ESP's) have been observed by the technique of attenuated total reflection (ATR) spectroscopy at 295 K on the (100) face of the polymerized diacetylene crystal poly-2,4-hexadiyne-1,6-diol bis (p-toluene sulfonate). The ATR experiments were performed by measuring the p-polarized reflectivity as a function of angle of incidence at constant wavelength. By changing the wavelength of the exciting light and repeating the angular scans, the experimental dispersion of the surface mode was determined for the wavelength range 632.8 to 596 nm. The intensity of the electromagnetic field in the three regions, prism, gap and sample, was calculated to demonstrate the localization of the ESP at the crystal surface.     

Exciton transitions in quasi-one-dimensional crystals. 9,10-dichloroanthracene

Polarized reflection spectra of the first singlet transition of the α-crystalline form of 9,10-dichloroanthracene are reported. Crystal faces (001), (011) and (010) were examined in spectral range 450 to 350 nm at two temperatures, 5 K and 300 K. Two systems of transitions were observed. The first system is assigned to neutral excitons. Spectral similarities with unsubstituted anthracene and arguments based on the one-dimensional stacking of molecules are used to construct a model of the exciten band structures. The M-polarized ππ* molecular transition gives rise to a four branch band with two allowed transitions. The 0-0_b (A_g → A_u) transition lies 50–100 cm^?1 above the bottom of the exciton band and the 0-0_c′ (A_g → B_u) transition lies at the top of the band. In the reflection spectrum the Davydov splitting c′b for transverse excitons is 210 cm^?1. The exciton band of the 00 molecular transition is not isolated but overlaps the two-particle manifold of the 0–1 vibronic transition. As a result of the 0–1_c′ transition is unexpectedly strong in the spectra of the (010) face. The second system is polarized along the stack-axis a and starts 2500 cm^?1 above the first system. It is tentatively assigned as |a(A_g → B_u) charge transfer exciton transition in agreement with earlier observations.     

On affine scaling and semi-infinite programming

We consider an extension of the affine scaling algorithm for linear programming problems with free variables to problems having infinitely many constraints, and explore the relationship between this algorithm and the finite affine scaling method applied to a discretization of the problem.This material is based on research supported by Air Force Office of Scientific Research Grant AFOSR 89-0410.