Search results for "Single"
showing 10 items of 4920 documents
Optimal arrangements of 1,3-diphenylisobenzofuran molecule pairs for fast singlet fission.
2019
A simplified version of the frontier orbital model has been applied to pairs of C2, C2v, Cs, and C1 symmetry 1,3-diphenylisobenzofuran rotamers to determine their best packing for fast singlet fission (SF). For each rotamer the square of the electronic matrix element for SF was calculated at 2.2 × 109 pair geometries and a few thousand most significant physically accessible local maxima were identified in the six-dimensional space of mutual arrangements. At these pair geometries, SF energy balance was evaluated, relative SF rate constants were approximated using Marcus theory, and the SF rate constant kSF was maximized by further optimization of the geometry of the molecular pair. The proce…
Temporal Soliton “Molecules” in Mode-Locked Lasers: Collisions, Pulsations, and Vibrations
2008
A few years after the discovery of the stable dissipative soliton pairs in passively mode-locked lasers, a large variety of multi-soliton complexes were studied in both experiments and numerical simulations, revealing interesting new behaviors. This chapter focuses on the following three subjects: collisions between dissipative solitons, pulsations of dissipative solitons, and vibrations of soliton pairs. Different outcomes of collisions between a soliton pair and a soliton singlet are discussed, showing possible experimental control in the formation or dissociation of ‘soliton molecules’. Long-period pulsations of single and multiple dissipative solitons are presented as limit cycles and o…
Different acute effects of single-axis and multi-axis hand-arm vibration.
1996
Under laboratory conditions the effects of single-axis and multi-axis hand-arm vibration exposure on several strain parameters were tested in up to 20 male subjects. As parameters of these acute effects, the biodynamic vibration behavior of the hand-arm system, the electrical activity of the most affected muscle groups, the skin temperature, the vibration sensitivity of the fingertips, and the subjective vibration sensation were measured. When comparing simulated three-axis vibration exposure with single-axis vibration exposure, synergistic effects in the form of an increasing reaction could be found. It could be proven that the vector sum of the frequency-weighted acceleration in the three…
Adsorption of small Au clusters on MgO and MgO/Mo: the role of oxygen vacancies and the Mo-support
2007
We report a systematic density functional theory investigation of adsorption of small Aun (n = 1-6) clusters on ideal and defected MgO(100) single crystal surfaces and Mo(100) supported thin MgO(100) films. As a model defect, we consider a neutral surface oxygen vacancy (Fs). Optimal adsorption geometries and energies, cluster formation energies and cluster charges are discussed and compared in detail over four different substrates. For a given cluster size, the adsorption energy among these substrates increases in the order MgO, Fs/MgO, MgO/Mo and Fs/MgO/Mo. While cluster growth by association of atoms from gas phase is exothermic on all the substrates, cluster growth by diffusion and aggr…
Quantification of the singlet-singlet annihilation times of individual bichromophoric molecules by photon coincidence measurements.
2010
Singlet−singlet annihilation (SSA) times in individual bichromophoric molecules have been quantified by time-resolved photon coincidence measurements. An analytical expression has been derived to obtain the SSA times from the coincidence histograms. The results have been confirmed by Monte Carlo simulations. SSA was found to be about three times faster than the fluorescence lifetime of the chromophores. Considering the spectral overlap for SSA and for energy transfer from an excited to a ground state chromophore, we conclude that in the weak coupling limit for any arrangement of the two chromophores both processes occur on similar time scales.
Flare diagnostics from loop modeling of a stellar flare observed with XMM-Newton
2006
Abstract XMM-Newton data of an X-ray flare observed on Proxima Centauri provide detailed and challenging constraints for flare modeling. The comparison of the data with the results of time-dependent hydrodynamic loop modeling of this flare allows us to constrain not only the loop morphology, but also the details of the heating function. The results show that even a complex flare event like this can be described with a relatively few – though constrained – components: two loop systems, i.e., a single loop and an arcade, and two heat components, an intense pulse probably located at the loop footpoints followed by a low gradual decay distributed in the coronal part of the loop. The similarity …
Singlet and triplet potentials of the ground-state atom pair Rb+Cs studied by Fourier-transform spectroscopy
2011
A comprehensive study of the $X {}^{1}\ensuremath{\Sigma}{}^{+}$ and $a {}^{3}\ensuremath{\Sigma}{}^{+}$ electronic states of the Rb and Cs atom pair in RbCs is presented. Abundant spectroscopic data for the $^{85}\mathrm{Rb}$$^{133}\mathrm{Cs}$ and $^{87}\mathrm{Rb}$$^{133}\mathrm{Cs}$ isotopologues were obtained from Fourier-transform spectra of laser-induced fluorescence (LIF) from the $B {}^{1}\ensuremath{\Pi}$ and $(4){}^{1}\ensuremath{\Sigma}{}^{+}$ states to the $a {}^{3}\ensuremath{\Sigma}{}^{+}$ (4549 transitions) and $X {}^{1}\ensuremath{\Sigma}{}^{+}$ (15 709 transitions) states. The $X {}^{1}\ensuremath{\Sigma}{}^{+}$ state data were complemented by about 15 500 transitions obta…
Robust quantum control by a single-shot shaped pulse
2013
Considering the problem of the control of a two-state quantum system by an external field, we establish a general and versatile method allowing the derivation of smooth pulses which feature the properties of high fidelity, robustness, and low area. Such shaped pulses can be interpreted as a single-shot generalization of the composite pulse-sequence technique with a time-dependent phase.
A comparison of density-functional-theory and coupled-cluster frequency-dependent polarizabilities and hyperpolarizabilities
2005
The frequency-dependent polarizabilities and hyperpolarizabilities of HF, CO, H2O and para-nitroaniline calculated by density-functional theory are compared with accurate coupled-cluster results. Whereas the local-density approximation and the generalized gradient approximation (BLYP) perform very similarly and overestimate polarizabilities and, in particular, the hyperpolarizabilities, hybrid density-functional theory (B3LYP) performs better and produces results similar to those obtained by coupled-cluster singles-and-doubles theory. Comparisons are also made for singlet excitation energies, calculated using linear response theory.
Bistable phase locking in rocked lasers
2006
Abstract We investigate analytically and numerically the dynamics of single mode lasers with periodic ac injection (rocked lasers). Such lasers show phase bistability as the phase of the light emitted by such lasers can lock to either of two values shifted by π. Locking regimes for different lasers are studied showing that the system response is strongly modified in class B lasers due to the influence of relaxation oscillations.