New determination of structure parameters in strong field tunneling ionization theory of molecules

In the strong field molecular tunneling ionization theory of Tong et al. [Phys. Rev. A 66, 033402 (2002)], the ionization rate depends on the asymptotic wavefunction of the molecular orbital from which the electron is removed. The orbital wavefunctions obtained from standard quantum chemistry packages in general are not good enough in the asymptotic region. Here we construct a one-electron model potential for several linear molecules using density functional theory (DFT). We show that the asymptotic wavefunction can be improved with an iteration method and after one iteration accurate asymptotic wavefunctions and structure parameters are determined. With the new parameters we examine the alignment-dependent tunneling ionization probabilities for several molecules and compare with other calculations and with recent measurements, including ionization from inner molecular orbitals

Bioactive phytochemical constituents of wild edible mushrooms from Southeast Asia

Mushrooms have a long history of uses for their medicinal and nutritional properties. They have been consumed by people for thousands of years. Edible mushrooms are collected in the wild or cultivated worldwide. Recently, mushroom extracts and their secondary metabolites have acquired considerable attention due to their biological effects, which include antioxidant, antimicrobial, anti-cancer, anti-inflammatory, anti-obesity, and immunomodulatory activities. Thus, in addition to phytochemists, nutritionists and consumers are now deeply interested in the phytochemical constituents of mushrooms, which provide beneficial effects to humans in terms of health promotion and reduction of disease-related risks. In recent years, scientific reports on the nutritional, phytochemical and pharmacological properties of mushroom have been overwhelming. However, the bioactive compounds and biological properties of wild edible mushrooms growing in Southeast Asian countries have been rarely described. In this review, the bioactive compounds isolated from 25 selected wild edible mushrooms growing in Southeast Asia have been reviewed, together with their biological activities. Phytoconstituents with antioxidant and antimicrobial activities have been highlighted. Several evidences indicate that mushrooms are good sources for natural antioxidants and antimicrobial agent

Operator method in solving non-linear equations of the Hartree-Fock type

The operator method is used to construct the solutions of the problem of the polaron in the strong coupling limit and of the helium atom on the basis of the Hartree-Fock equation. $E_0=-0.1085128052\alpha^2$ is obtained for the polaron ground-state energy. Energies for 2s- and 3s-states are also calculated. The other excited states are briefly discussed.Comment: 7 page

Influence of orbital symmetry on diffraction imaging with rescattering electron wave packets

Citation: Pullen, M. G., Wolter, B., Le, A. T., Baudisch, M., Sclafani, M., Pires, H., . . . Biegert, J. (2016). Influence of orbital symmetry on diffraction imaging with rescattering electron wave packets. Nature Communications, 7, 6. doi:10.1038/ncomms11922The ability to directly follow and time-resolve the rearrangement of the nuclei within molecules is a frontier of science that requires atomic spatial and few-femtosecond temporal resolutions. While laser-induced electron diffraction can meet these requirements, it was recently concluded that molecules with particular orbital symmetries (such as pi(g)) cannot be imaged using purely backscattering electron wave packets without molecular alignment. Here, we demonstrate, in direct contradiction to these findings, that the orientation and shape of molecular orbitals presents no impediment for retrieving molecular structure with adequate sampling of the momentum transfer space. We overcome previous issues by showcasing retrieval of the structure of randomly oriented O-2 and C2H2 molecules, with pi(g) and pi(u) symmetries, respectively, and where their ionization probabilities do not maximize along their molecular axes. While this removes a serious bottleneck for laser-induced diffraction imaging, we find unexpectedly strong backscattering contributions from low-Z atoms

Orientation Dependence of the Ionization of CO and NO in an Intense Femtosecond Two-Color Laser Field

Two-color (800- and 400-nm) short (45-fs) linearly polarized pulses are used to ionize and dissociate CO and NO. The emission of Cq+, Nq+, and O⁺ fragments indicates that the higher ionization rate occurs when the peak electric field points from C to O in CO and from N to O in NO. This preferred direction is in agreement with that predicted by Stark-corrected strong-field-approximation calculations

Intensity Dependence of Multiple Orbital Contributions and Shape Resonance in High-Order Harmonic Generation of Aligned N₂ Molecules

We report measurements and theoretical simulations of high-order harmonic generation (HHG) in aligned N₂ molecules using a 1200-nm intense laser field when the generating pulse is perpendicular to the aligning one. With increasing laser intensity, the minimum in the HHG spectra first shifts its position and then disappears. Theoretical simulations including the macroscopic propagation effects in the medium reproduce these observations and the disappearance of the minimum is attributed to the additional contribution of HHG from inner orbitals. We also predict that the well-known shape resonance in the photoionization spectra of N₂ should exist in the HHG spectra. It is most clearly seen when the generating laser is parallel to the aligning one and disappears gradually as the angle between the two lasers increases. No clear evidence of this shape resonance has been reported so far when using lasers with different wavelengths. Further experimentation is needed to draw conclusions