Low-energy electron impact excitations of S2 molecules are studied using the fixedbond R-matrix method based on state-averaged complete active space SCF orbitals. Integral cross sections are calculated for elastic electron collision as well as impact excitation of the 7 lowest excited electronic states. Also, differential cross sections are obtained for elastic collision and excitation of the a...

We showed several years ago that the density operator of Markovian open systems can be diagonalized continuously in time. The resulting pure state jump processes correspond to quantum trajectories proposed in recent quantum optics calculations or, at fundamental level, to exact consistent histories. The quantum state of an open quantum system — actually a subsystem of a closed one — cannot be d...

This paper introduces the retrial CPP/M/c queue, which is the generalization of the M/M/c retrial queue. The arrival process of jobs into the queue follows the Compound Poisson Process (CPP). We present an efficient and numerically stable computational algorithm for the steady state probabilities.

The study of shot noise for junctions formed by single molecules offers interesting new information that cannot be easily obtained by other means. At low bias it allows determining the transmission probability and the number of current carrying conductance channels [1]. We investigate the effects of phonon scattering on the electronic current noise through nano junctions with mechanically contr...

In the consistent histories formalism one specifies a family of histories as an exhaustive set of pairwise exclusive descriptions of the dynamics of a quantum system. We define branching families of histories, which strike a middle ground between the two available mathematically precise definitions of families of histories, viz., product families and Isham’s history projector operator formalism...

Different types of Gaussian basis sets for accurate LCAO calculations are discussed. For calculations designed to recover a substantial portion of the correlation energy, we suggest the use of basis sets comprising natural orbitals from correlated calculations on the atoms. These basis sets have proven to be very efficient in accounting for large fractions of the molecular correlation energy. F...

We consider the problem of Bayesian inference about the centre of symmetry of a symmetric density on the real line based on independent identically distributed observations. A result of Diaconis and Freedman shows that the posterior distribution of the location parameter may be inconsistent if (symmetrized) Dirichlet process prior is used for the unknown distribution function. We choose a symme...