The C4H4 isomer cyclobutadiene (CBD) is the prime model for antiaromaticity and thus a molecule of considerable interest in chemistry. Because it highly reactive, can only be studied under isolated conditions. Its electronic structure characterized by pseudo-Jahn–Teller effect neutral E ⊗ β Jahn–Teller cation. As result, recording photoelectron spectra as well describing them theoretically has ...

The 4d photoelectron spectrum of free thulium atoms is measured and calculated in the single-configuration intermediate-coupling approximation considering multiplet splitting and lifetime broadening of the spectral components due to radiationless transitions following the 4d ionization. The individual natural widths of the 4d94f13 multiplet components are found to differ considerably, and the e...

radiotherapy dose calculations can be evaluated by monte carlo (mc) simulations with acceptable accuracy for dose prediction in complicated treatment plans. in this work, standard, livermore and penelope electromagnetic (em) physics packages of geant4 application for tomographic emission (gate) 6.1 were compared versus monte carlo n-particle extended (mcnpx) 2.6 in simulation of 6 mv photon lin...

Tungsten (W) is an important and versatile transition metal has a firm place at the heart of many technologies. A popular experimental technique for characterization tungsten tungsten-based compounds x-ray photoelectron spectroscopy (XPS), which enables assessment chemical states electronic structure through collection core level valence band spectra. However, in case metal, open questions rema...

The photoelectron spectrum of Fe,can be simply interpreted in terms of electron detachment from the mildly antibonding 4.~0: orbital of a ( ~ S O ~ ) ~ ( ~ S C Y = ) ~ ( ~ ~ ) ~ ~ anion. configuration for the ground state of Fe,, correlating with one ground state (4s23d6) and one excited state (4s13d7) Fe atom. A comparison of the bond length and vibrational frequency of Fe, to values for trans...

The HCCO radical is of great interest in combustion chemistry because it is a key intermediate in the oxidation of small hydrocarbons such as acetylene. Spectroscopic information has been limited to a handful of experiments, none of which has adequately characterized the Renner–Teller interaction of the two lowest-lying electronic states. In this paper, theory recently developed to describe the...

2014 ACO synchrotron radiation has been used to obtain photoelectron spectra of the outer shell of xenon in the 75-100 electron volts energy range. Satellite peaks corresponding to the formation of excited ionic states have been observed, in addition to the main peaks corresponding to the production of the 5s2 5p5 2P and 5s 5p6 2S states of Xe+. A comparison is presented of the intensities of t...

Many nonlinear quantum phenomena of intense laser-atom physics can be intuitively explained with the concept of trajectory. In this paper, Bohmian mechanics (BM) is introduced to study a multiphoton process of atoms interacting with the intense laser field: above-threshold ionization (ATI). Quantum trajectory of an atomic electron in intense laser field is obtained from the BohmNewton equation ...