A semiclassical treatment of multiple transition points for electronic transitions in atom(ion)‐diatom collisions is presented. The treatment, based on a theory by W. H. Miller and T. F. George [J. Chem. Phys. 56, 5637 (1972)], involves the semiclassical evaluation of a path integral con...
The first two collision systems, F H 2 and Cl H 2, are characterized by electronic splittings much smaller than any vibrational spacing included in the diatom spectrum, and as a result they show a high degree of vibrational elasticity with essentially all transition activity testricted to spin...
Electronic structure of Ge(001)-c(4 × 2) surface and two-probe experimental setup.aSide and top views of the used unit cell, twice the size of the primitive cell, and the corresponding Brillouin zone (see Supplementary Fig.16for details). Yellow and orange colored Ge atoms highlight ...
Atoms of electron transition deform or elongate but do not ionize while inert gas atoms split under photonic current instead of electric M. Ali, Atoms of electron transition deform or elongate but do not ionize while inert gas atoms split under photonic current instead of electric. http:... M...
The active centers for adsorption and catalysis on transition elements and their compounds are coordination-unsaturated surface atoms with underpopulated d orbitals. The individual properties of an active center turn out to be more important for adsorption and catalysis than are the collective electronic...
The electronic structure and magnetic properties of the transition-metal(TM) atoms(Sc–Zn, Pt and Au) doped zigzag GaN single-walled nanotubes(NTs) are investigated using first-principles spin-polarized density functional calculations. Our results show that the bindings of all TM atoms are stable ...
planar clusters up to Au_(12)~-, whereas for Au_(13)~- and Au_(14)~- the theoretical results from three-dimensional isomers agree better with the experiment, providing further support for the 2D to 3D structural transition at Au_(12)~-, as concluded from previous ion mobility ...
Electronic transition moments are defined as the probability for a given excitation energy transition to take place. It should be evident that the transition moment depends upon the spin-orbit coupling of the electrons in both the ground and excited states. This mandates the use of wave-equation ...
Rapid photoejection of inner-shell electrons produces ‘hollow’ atoms and an intensity-induced X-ray transparency. Such transparency, due to the presence of inner-shell vacancies, can be induced in all atomic, molecular and condensed matter systems at high intensity. Quantitative comparison with ...
Theoretical Investigation on Single-Wall Carbon Nanotubes Doped with Nitrogen, Pyridine-Like Nitrogen Defects, and Transition Metal Atoms This study addresses the inherent difficulty in synthesizing single-walled carbon nanotubes (SWCNTs) with uniform chirality and well-defined electronic pro... M Manang...