Two-photon ionization spectrum of the 1Lb ← S0 transition in toluene

The multiphoton ionization (MPI) spectrum of toluene arising from the ¹B₂ (¹L_b) valence state has been investigated. The state participates as a two-photon resonance. A total of nine excited state fundamentals have been characterized, including three non-totally symmetric vibrations. The toluene MPI spectrum shows a strong resemblance to the two-photon fluorescence excitation spectrum with the strongest transitions taking place to the origin and excited state modes ν₁(a₁), ν₁₂(a₁) and ν₁₄(b)₂). The intensities of the observed fundamentals are rationalized in terms of Franck-Condon and vibronic coupling effects. A major conclusion is, that the primary mechanism for the activity of ν₁₂ is vibronic coupling.     

Lattice fermions in euclidean space-time

A very short proof of a no-go theorem for putting fermions on a lattice is given using the Poincaré-Hopf theorem. The no-go theorem forbids the lattice formulation of theories with handed fermions without species doubling. Examples of such theories are chiral invariant QCD and the Weinberg-Salam-Glashow model. We give arguments why it could be possible to circumvent the no-go theorem by relaxing one of the assumptions, viz. bilinearity of the action in the fermion fields.     

Vibrational sidebands and the Kondo effect in molecular transistors

Electron transport through molecular quantum dots coupled to a single vibrational mode is studied in the Kondo regime. We apply a generalized Schrieffer-Wolff transformation to determine the effective low-energy spin-spin-vibron interaction. From this model we calculate the nonlinear conductance and find Kondo sidebands located at bias voltages equal to multiples of the vibron frequency. Because of selection rules, the side peaks are found to have strong gate-voltage dependences, which can be tested experimentally. In the limit of weak electron-vibron coupling, we employ a perturbative renormalization group scheme to calculate analytically the nonlinear conductance.     

Weak Coulomb blockade effect in quantum dots

We develop the general nonequilibrium theory of transport through a quantum dot, including Coulomb blockade effects via a 1/N expansion, where N is the number of scattering channels. At lowest order we recover the Landauer formula for the current plus a self-consistent equation for the dot potential. We obtain the leading corrections and compare with earlier approaches. Finally, we show that to leading and to next leading order in 1/N there is no interaction correction to the weak localization, in contrast to previous theories, but consistent with experiments by Huibers et al. [Phys. Rev. Lett. 81, 1917 (1998)], where N=4.     

Femtosecond holography in lithium niobate crystals

Spatial gratings are recorded holographically by two femtosecond pump pulses at 388 nm in lithium niobate (LiNbO3) crystals and read out by a Bragg-matched, temporally delayed probe pulse at 776 nm. We claim, to our knowledge, the first holographic pump-probe experiments with subpicosecond temporal resolution for LiNbO3. An instantaneous grating that is due mostly to the Kerr effect as well as a long-lasting grating that results mainly from the absorption caused by photoexcited carriers was observed. The Kerr coefficient of LiNbO3 for our experimental conditions, i.e., pumped and probed at different wavelengths, was approximately 1.0 x 10(-5) cm2/GW.     

Direct evidence for negative grain boundary potential in Ca-doped and undoped YBa2Cu3O7-x

Using electron holography in a transmission electron microscope, we obtained direct evidence for the reduction of negative charge at grain boundary dislocations in Ca-doped YBa2Cu3O7 (YBCO) when compared to undoped YBCO. Because of the finite width of the valence band in the superconducting CuO2 planes, the negative grain boundary charge can lead to a depletion of electron holes available for superconductivity. A significant reduction in the size of the perturbed region in the Ca-doped samples appears to be the principal mechanism for the improved interfacial superconductivity.     

A global investigation of excited state surfaces within time-dependent density-functional response theory

This work investigates the capability of time-dependent density functional response theory to describe excited state potential energy surfaces of conjugated organic molecules. Applications to linear polyenes, aromatic systems, and the protonated Schiff base of retinal demonstrate the scope of currently used exchange-correlation functionals as local, adiabatic approximations to time-dependent Kohn-Sham theory. The results are compared to experimental and ab initio data of various kinds to attain a critical analysis of common problems concerning charge transfer and long range (nondynamic) correlation effects. This analysis goes beyond a local investigation of electronic properties and incorporates a global view of the excited state potential energy surfaces.     

Bayesian ensemble approach to error estimation of interatomic potentials

Using a Bayesian approach a general method is developed to assess error bars on predictions made by models fitted to data. The error bars are estimated from fluctuations in ensembles of models sampling the model-parameter space with a probability density set by the minimum cost. The method is applied to the development of interatomic potentials for molybdenum using various potential forms and databases based on atomic forces. The calculated error bars on elastic constants, gamma-surface energies, structural energies, and dislocation properties are shown to provide realistic estimates of the actual errors for the potentials.     

Simultaneously suppressing frequency and intensity noise in a Nd:YAG nonplanar ring oscillator by means of the current-lock technique

We show that frequency and intensity noise in a Nd:YAG laser are correlated to a high degree and can be traced to the same underlying cause, namely, power fluctuations of the pump source. Because of this correlation, simultaneous suppression of frequency and intensity noise by 30 dB is achieved by means of a single actuator, the pump power.