Ab initio calculations have been carried out on low-lying singlet and triplet states of TeO2 at different levels of theory with basis sets of up to the augmented-polarized valence-quintuple-zeta quality. Equilibrium geometrical parameters, harmonic vibrational frequencies, and relative electronic energies of the X1A1, 1B1, 1B2, 1A2, 3A1, 3B1, 3B2, and 3A2 states of TeO2 have been calculated. Po...

Objective: The use of miniature X-ray source in electronic brachytherapy is on the rise so there is an urgent need to acquire more knowledge on X-ray spectrum production and distribution by a dose. The aim of this research was to investigate the influence of target thickness and geometry at the source of miniature X-ray tube on tube output.Method: Five sources were simulated based on problems e...

there are many different ways to subdivide the spectrum of a bounded linear operator; some of them aremotivated by applications to physics (in particular, quantum mechanics). in this study, the relationship betweenthe subdivisions of spectrum which are not required to be disjoint and goldberg's classification are given.moreover, these subdivisions for some summability methods are studied.

The electronic spectrum, energy gap and local magnetic moment of paramagnetic NiO are computed using the local density approximation plus dynamical mean-field theory LDA DMFT . To this end the noninteracting Hamiltonian obtained within the LDA is expressed in Wannier function basis, with only the five antibonding bands with mainly Ni 3d character taken into account. Complementing it by local Co...

Three singlet states, namely a closed-shell ground state and two excited states with (1)ππ* and (1)nσ* character, have been suggested to be responsible for the radiationless decay or photochemical reaction of photoexcited thioanisole. The correct interpretation of the electronic spectrum is critical for understanding the character of these low-lying excited states, but the experimental spectrum...

The temperature dependence of the electronic structure of CeBi arising from two types of antiferromagnetic transitions based on optical conductivity (σ(ω)) was observed. The σ(ω) spectrum continuously and discontinuously changes at 25 and 11 K, respectively. Between these temperatures, two peaks in the spectrum rapidly shift to the opposite energy sides as the temperature changes. Through a com...

A high-resolution gas-phase spectrum of a molecular absorption band around 604 nm is assigned as due to an electronic transition of a nonlinear C6H4 1 planar species starting from its A9 electronic ground state. The spectrum is observed in direct absorption by cavity ringdown spectroscopy through a supersonic planar discharge through a mixture of acetylene in helium. The spectrum has a clear ro...

Gas phase photodissociation electronic spectra of protonated azobenzene (ABH(+)) and 4-(dimethylamino)azobenzene (dmaABH(+)) were measured in a cryogenically cooled ion trap at temperatures of a few tens of Kelvin. Experimental results were complemented with electronic structure calculations in the ground state at the MP2/cc-pVDZ level of theory, and in the low lying excited states using the RI...

Real-time electrical spectrum analysis is of great significance for applications involving radio astronomy and electronic warfare, e.g. the dynamic spectrum monitoring of outer space signal, and the instantaneous capture of frequency from other electronic systems. However, conventional electrical spectrum analyzer (ESA) has limited operation speed and observation bandwidth due to the electronic...