Allyl phenyl ether has an absorption band in the ultraviolet region (λ < 400 nm); therefore, irradiation with few-optical-cycle ultraviolet pulses (λ = 360-440 nm) causes a transition to the ultraviolet band, which leads to an electronic state and a photo-Claisen rearrangement (radical reaction) in the electronic excited state. However, the reaction scheme of allyl phenyl ether under irradiatio...

Frequency-, angle-, and time-resolved photoelectron imaging of gas-phase menadione (vitamin K3) radical anions was used to show that quasi-bound resonances of the anion can act as efficient doorway states to produce metastable ground electronic state anions on a sub-picosecond timescale. Several anion resonances have been experimentally observed and identified with the assistance of ab initio c...

We investigate the electronic structure of two ${\mathrm{Ir}}^{5+}$ honeycomb iridates, ${\mathrm{Sr}}_{3}{\mathrm{CaIr}}_{2}{\mathrm{O}}_{9}$ and ${\mathrm{NaIrO}}_{3}$, by means resonant x-ray techniques. confirm that realizes a large spin-orbit driven nonmagnetic ${J}_{\mathrm{eff}}=0$ singlet ground state despite sizable tetragonal distortions Ir coordinating octahedra. However, inelastic s...

We have found the exact ground state for two electronic models on a linear chain. The first model describes half-filling electron system in the ferromagnet– antiferromagnet transition point. In the singlet ground state the spin correlators show giant spiral magnetic ordering with the period of a spiral equals to the system size. The second electronic model describes the point where the ground s...

In the present work, the structural and electronic properties, and conductivity of (5,5) and (6,6) Single Walled Carbon Nanotubes in the ground state have done by using the Hartree-Fock and density functional theory DFT-B3LYP/6-31G* level. Delocalization of charge density between the bonding or lone pair and antibonding orbitals calculated by NBO (natural bond orbital) analysis. These methods a...