Atomic frame

Thii MNDO niijthod has 22 iiniqiiLi iwo-ctMUer two-eliicLron irUti-gials Ibr each pair ol heavy (non-hydrogen ) atoms in iheir local atomic frame. They are ... 

Secondly, in the atomic frame, it comes with a motional electric field E = V x B hydrogen atom are specially sensitive to this field. As this electric field is proportional to v, the corresponding shift of the S level due to the interaction with a near P level, is quadratic with v. Moreover, since the nearest level (P1/2) is below the S one, this motional electric field can give a positive frequency shift of the transition Av able to compensate the negative shift due to the second order Doppler effect. 

Methods for estimating intensity distributions of X-ray satellite spectra induced by accelerated ions with energies of a few MeV/amu are reviewed, where the orbitals responsible for X-ray emission are written in the molecular frame, not in the atomic frame. 

Satellite Intensity Distributions Written in the Atomic Frame... 

The ionization cross section can be written in the atomic frame and estimated using SCA, as explained in the previous chapter, for all the X-ray transitions in isolated atoms, and for the X-ray transitions which occur between two inner shells for atoms in atom-aggregates. However, for atom-aggregates, if valence shells are involved in the X-ray transitions then we have to take molecular orbital effects on the ionization cross... 

K L state is an initial state responsible for emitting a part of the K L" line. The same kind of orbital mixing is also found in Bj and Bj blocks. However, the F 2p in the K L ionized state, the F 2p orbital is separated from the metal orbitals. The ionized state, shown in Fig. 7(b) as 15a is an initial state responsible for emitting a part of the K L line. This is because, when one vacancy is created in the L shell of the F atom, the molecular orbital composed of the F 2p becomes much deeper and gets separated from the orbitals composed of the ligand metal outer orbitals. This means that the molecular orbital composed of the F 2p at the K L state behaves as the orbital of the isolated atom. This is also true for the other two blocks. Therefore, in the following discussions, the F K L" X-ray line will be described in the molecular orbital frame, while the F X-ray line will written in the atomic frame. 

In the case of compounds containing pyrrole-type nitrogen, special care must be taken to account for the effects mentioned above in particular, the destabilizing inductive effect on the carbon atom frame must be represented in the HMO model through the choice of less negative 0 parameters. Application of a parameter set derived by Eland for the pyrrole fragments in the series 24-28, together with... 

Fig. 1.2 Production of NO at high geomagnetic latitudes during the solar proton event of 1972 for two assumptions about the electronic states of the N atoms framed (Pm = 0, or 1). Also shown are the average NO concentrations for these locations.

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