Non-equilibrium calculations of atmospheric processes initiated by electron impact.

Numerical Study of Non - Equilibrium Air Dissociation For Calculation of Electron Density in Hypersonic Flow

Non-equilibrium thermodynamics of quantum processes

Thermodynamics is one of the pillars of physical, chemical and biological sciences. It is able to predict the occurrence and efficiency of complex chemical reactions and biological processes. In physics, the conduction of heat across a medium or the concept of the arrow of time are formulated thermodynamically. In information theory, the definitions of information and entropy are given in therm...

Electron transport in DNA initiated by diaminonaphthalene donors alternatively bound by non-covalent and covalent association.

Covalent conjugation is typically used to fix a potential charge donor to a chosen site for studying either hole or excess electron transport in duplex DNA. A model system based on oligonucleotides containing an abasic site and (Br)dU was previously developed to provide a rapid method of screening new donors without the need of synthetic chemistry. While this strategy is effective for discoveri...

Electron-impact vibrational excitation of polyatomic gases: Exploratory calculations

We present model calculations for the inelastic cross sections of electron collisions with tetrahedral molecules XH4 ~X5C, Si, Ge! when only the molecular ‘‘breathing’’ mode, n1 , is being excited. The collision energy range is well above the excited thresholds and up to 12 eV, where the adiabatic approximation for the inelastic T matrix is expected to hold. The results show the efficiency of t...

Electron impact double ionization of helium from classical trajectory calculations

With a recently proposed quasiclassical ansatz [Geyer and Rost, J. Phys. B 35 (2002) 1479] it is possible to perform classical trajectory ionization calculations on many electron targets. The autoionization of the target is prevented by a Møller type backward–forward propagation scheme and allows to consider all interactions between all particles without additional stabilization. The applicatio...