Electronic structure of the benzene–tetracyanoethylene complex: A synthesis of molecular orbital and density functional descriptions

The electronic structure of the benzene–tetracyanoethylene electron donor–acceptor complex is investigated at the HF /6-311G ^** level of theory. The computed electronic wave function is analyzed with rigorous interpretive tools that involve both molecular orbital and density functional approaches. The in situ electronegativity difference is calculated at 3.32 eV, resulting in a charge transfer of 0.016. This extent of charge transfer is found to account for only ca. 17% of the interaction energy of ca. 33% of the dipole moment. The remaining part of the dipole moment originates from buckling of the tetracyanoethylene moiety. The dependence of the electronegativity difference on the magnitude of charge transfer is found to be highly nonlinear. © 1994 John Wiley & Sons, Inc.     

Investigation of the conditions for feeding filamentary silicon crystals,growing in a reactor with hot walls

An estimate of the factors which influence the rate of growth of filamentary silicon crystals in a standard chloride system using a quartz reactor with hot walls is given. It is shown that a diffusion form of crystallization is observed under the conditions investigated.Voronezh State Technical University. Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 10, pp. 22–26, October, 1995.     

Boundary conditions in quantum field theories

Several interesting and important quantum field theories must contain the coupling constant in the boundary conditions. The theories considered include quantum electrodynamics of spin-1/2 fermions and gauge field theories.     

Study of the charge-exchange reactions\pi ^ - p \to (\pi ^0 ,\eta ,\eta \prime )n at 63 GeV

Muon electron pairs were detected in an Al multiplate spark chamber, exposed to a neutrino beam from the CERN PS. The leptons were not accompanied by other particles, except occasionally by protons. The background came mainly from muon associated π⁰ production, with one decay gamma lost. It was determined empirically, together with the small contribution from υ _e reactions. For electron energies above 2 GeV the background is 5.7±1.5 events, whereas 18 (μe)-candidates have been observed. Hence the effect is established, with a rate of about 10^?4 as compared to the muonic reactions above 3 GeV. Charm creation as the origin of this (μe)-production process is excluded; heavy neutral lepton production does not fit the kinematics observed. Instead the events are compatible with the two-body decay of an object with variable invariant mass of order 1 GeV, possibly resulting from axion interactions.     

Grating coatings with gain

Using an integral theory of grating diffraction we calculate efficiencies greater than 100% if a coating with gain is taken into account. A connection with guided modes is conjectured. The application in optical computing seems to be possible.     

Transport as a consequence of state-dependent diffusion

Overdamped particles subject to a drift in a force field with sinusoidal space dependence and also a sinusoidally modulated space-dependent diffusion, with the same period as the drift, experience a net driving force. The resulting current depends on the amplitude of the modulation of the diffusion and is a periodic function of the phase difference between the sinusoidal drift and the sinusoidal modulation of the diffusion. For small modulation amplitudes a particle subject to state-dependent noise behaves the same way as a particle subject to thermal noise but with a drift which, in addition to the sinusoidal term, contains a net force term.Dedicated to Professor Harry Thomas on the occasion of his 60th birthday     

Scattering of surface plasmon polaritons by a nanoparticle with the inclusion of the magnetic dipole contribution

Using the method of the tensor Green’s function of the wave equation, the differential and total cross sections for the scattering of surface optical electromagnetic waves (surface plasmon polaritons) by a spherical nanoparticle into surface plasmon polaritons and light have been obtained with the inclusion of the magnetic dipole contribution. Using the example of noble metal systems, it has been shown that the magnetic dipole contribution may significantly affect the angular dependence of the differential cross sections and increase their anisotropy as the plasmon wavelength increases.     

Space-Time Directional Lyapunov Exponents for Cellular Automata

Space-time directional Lyapunov exponents are introduced. They describe the maximal velocity of propagation to the right or to the left of fronts of perturbations in a frame moving with a given velocity. The continuity of these exponents as function of the velocity and an inequality relating them to the directional entropy is proved.