The not-so-peculiar case of calcium oxide: a weakness in atomic natural orbital basis sets for calcium

Atomic natural orbital (ANO) basis sets for calcium may produce surprisingly poor atomic and molecular properties and energetics. The weaknesses in these basis sets may be traced primarily to deficiencies within the sets of d functions which are incapable of effectively correlating the 3s and 3p electrons. Examples are given which show that addition of tight d functions to the ANO basis is required to achieve qualitatively correct energetics and structures for conventionally bonded calcium compounds.     

Solving the SUSY flavour and CP problems with non-Abelian family symmetry and supergravity

Can a theory of flavour capable of describing the spectrum of fermion (including neutrino) masses and mixings also contain within it the seeds for a solution of the SUSY flavour and CP problems? We argue that supergravity together with a non-Abelian family symmetry can completely resolve the SUSY flavour and CP problems in a broad class of theories in which family symmetry and CP is spontaneously broken in the flavon sector. We show that a simple superpotential structure can suppress the F-terms of the flavons and GUT scale Higgs fields and that, if this mechanism is implemented, the resulting flavour and CP violation is suppressed and comfortably within the experimental limits. For illustration, we study a specific model based on SU(3) family symmetry, but similar models based on non-Abelian (continuous or discrete) family symmetry will lead to similar results.     

Two-point time-series measurements of minor-species concentrations in a turbulent nonpremixed flame

We report a technique that is capable of making simultaneous two-point time-series measurements of minor-species concentrations in turbulent flames. The experimental setup, which incorporates picosecond time-resolved laser-induced fluorescence, has a spatial resolution of less than 250 microm and a temporal resolution of less than 100 micros, which spatially and temporally resolve microscales in many turbulent flows. Two-point time-series data are given for a standard turbulent nonpremixed flame at Re= 10,000, including a discussion of potential implications.