The electronic structure of hydridocobalt tri-and tetra-carbonyls was investigated by means of ab initio methods in two different Gaussian basis sets. Hartree-Fock, configurationinteraction, and MCSCF calculations were performed on a number of conformations and electronic states of both compounds. Pyramidal distortions of the symmetric C 3v forms of HCO(CO)3 were investigated, and Jahn-Teller distortions of the triplet states were described at the MCSCF level of theory. The interdependence of correlation effects and molecular geometry was examined in both basis sets. It is concluded that dispersion forces playa large role in metal-ligand bonding and need to be included in the qualitative model.
This article describes the prototype of an 802.11b (wi-fi) wireless device that can determine the spatial direction from which every individual data packet has arrived, at a speed equal to the rate of wireless network traffic. Many problems in wireless networking stem from the fact that the users and their equipment are mobile; unlike devices attached to wired networks, their location is often unknown and difficult to determine. That makes traditional network management approaches ineffective. Integrating this radiolocation device with standard wireless equipment will improve the diagnostics and security management of wireless networks. Also, knowledge of the spatial direction of a source allows for an adaptive directional response specific to that source, providing foundation for better connectivity and a more rational usage of the wi-fi radio band.
ABSTRACT:We describe a computational scheme devised for using Fouriertransform-based analytic formulas for three-center integrals of r 12 Ϫ1 , wherein each electron is described by a two-center product of Slater-type orbitals. The asymptotic behavior of the auxiliary functions, which are related to modified spherical Bessel functions and to exponential integrals, is investigated, and recursive computational schemes are derived that are shown to be numerically stable for high summation indices and large internuclear distances.
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