Solving the Kadanoff-Baym equations for inhomogeneous systems: application to atoms and molecules

We implement time propagation of the nonequilibrium Green function for atoms and molecules by solving the Kadanoff-Baym equations within a conserving self-energy approximation. We here demonstrate the usefulness of time propagation for calculating spectral functions and for describing the correlated electron dynamics in a nonperturbative electric field. We also demonstrate the use of time propagation as a method for calculating charge-neutral excitation energies, equivalent to highly advanced solutions of the Bethe-Salpeter equation.     

Preparation, IR spectroscopy, and time-of-flight mass spectrometry of halogenated and methylated Si(111)

The preparation of chlorine-, bromine-, and iodine-terminated silicon surfaces (Si(111):Cl, Br, and I) using atomically flat Si(111)-(1×1):H is described. The halogenated surfaces were obtained by photochemically induced radical substitution reactions with the corresponding dihalogen in a Schlenk tube by conventional inert gas chemistry. The nucleophilic substitution of the Si-Cl functionality with the Grignard reagent (CH₃MgCl) resulted in the unreconstructed methylated Si(111)-(1×1):CH₃ surface. The halogenated and methylated silicon surfaces were characterized by Fourier transform infrared (FTIR) spectroscopy and laser-induced desorption of monolayers (LIDOM). Calibration of the desorption temperature via analysis of time-of-flight (TOF) distributions as a function of laser fluence allowed the determination of the originally emitted neutral fragments by TOF mass spectrometry using electron-impact ionization. The halogens were desorbed atomically and as SiX _n (X = Cl, Br) clusters. The methyl groups mainly desorbed as methyl and ethyl fragments and a small amount of ⁺SiCH₃.     

Fluctuations in the quark-meson model for QCD with isospin chemical potential

We study the two-flavor quark-meson (QM) model with the functional renormalization group (FRG) to describe the effects of collective mesonic fluctuations on the phase diagram of QCD at finite baryon and   isospin chemical potentials, _μB${\mu }_B$ and _μI${\mu }_I$. With only isospin chemical potential there is a precise equivalence between the competing dynamics of chiral versus pion condensation and that of collective mesonic and baryonic fluctuations in the quark-meson-diquark model for two-color QCD at finite baryon chemical potential. Here, finite _μB=3μ${\mu }_B=3\mu$ introduces an additional dimension to the phase diagram as compared to two-color QCD, however. At zero temperature, the (_μI,μ${\mu }_I,\mu$) plane of this phase diagram is strongly constrained by the “Silver Blaze problem.” In particular, the onset of pion condensation must occur at _μI=_mπ/2${\mu }_I=m_{\pi }/2$, independent of μ   as long as μ+_μI$\mu +{\mu }_I$ stays below the constituent quark mass of the QM model or the liquid-gas transition line of nuclear matter in QCD. In order to maintain this relation beyond mean field it is crucial to compute the pion mass from its timelike correlator with the FRG in a consistent way.     

Almost hermitian structures with parallel torsion

The characteristic connection of an almost hermitian structure is a hermitian connection with totally skew-symmetric torsion. The case of parallel torsion in dimension 6 is of particular interest. In this work, we give a full classification of the algebraic types of the torsion form, and, on the basis of this, undertake a systematic investigation into the possible geometries. Numerous naturally reductive spaces are constructed and classified, and examples on nilmanifolds given.     

Horizon-less Spherically Symmetric Vacuum-Solutions in a Higgs Scalar-Tensor Theory of Gravity

The exact static and spherically symmetric solutions of the vacuum field equations for a Higgs Scalar-Tensor theory (HSTT) are derived in Schwarzschild coordinates. It is shown that in general there exists no Schwarzschild horizon and that the fields are only singular (as naked singularity) at the center (i.e. for the case of a point-particle). However, the Schwarzschild solution as in usual general relativity (GR) is obtained for the vanishing limit of Higgs field excitations.     

Bis(trimethylsilyl)diimine: Preparation,Structure, and Reactivity

The highly reactive compound bis(trimethylsilyl)diimine (BSD), which was first prepared by oxidation of lithium tris(trimethylsilyl)hydrazide, is light blue, sensitive to thermolysis and hydrolysis, and ignites spontaneously in air. On the basis of electron transfer, acid-base, or free-radical reactions, it acts in particular as a (preparatively useful) redox system and as an agent for the introduction of azo groups. Redox reactions lead by oxidation or reduction of the other reactant through two oxidation stages to hydrazine derivatives or molecular nitrogen, and in the case of electrochemical reduction, to BSD radical-anions. Azo-group transfers, on the other hand, yield new inorganic azo compounds with no change in the oxidation state of the diimine group.