Terms excited-state calculations

In InSb, acceptor absorption spectra have been reported by Kaplan [92] and Murzin et al. [123]. PTIS spectra were also reported by Meisels and Kuchar [114]. The Znin and Cdin lines cannot be practically distinguished and Table 7.25 shows that they are very close to those of the Gesb lines. The last row gives the values of the excited states calculated by Baldereschi and Lipari [14]. An attempt [144], and reference therein) to evaluate the effect of the addition of the inversion asymmetry term (3.27) in the acceptor EM Hamiltonian on the InSb acceptor energy levels shows that this contribution is very small.8... 

The first square bracket reflects the Maxwell-Boltzmann distribution of excitons in the dots. The term in the second square brackets describes the exciton supply from an external center [5]. The density of states in the dots is modeled by an excited level and a continuum of excited states which is a reasonable approximation taking into account the spectrum of excited states calculated in [9]. The carrier supply is... 

Tripositive lanthanide ion Ionic configuration Ground- state term Excited state term Energy separation (cm ) Spin-orbit experimental (cm ) Parameter A calculated (cm ")... 

Reference [73] presents the first line-integral study between two excited states, namely, between the second and the third states in this series of states. Here, like before, the calculations are done for a fixed value of ri (results are reported for ri = 1.251 A) but in contrast to the previous study the origin of the system of coordinates is located at the point of this particulai conical intersection, that is, the (2,3) conical intersection. Accordingly, the two polar coordinates (adiabatic coupling term i.e. X(p (— C,2 c>(,2/ )) again employing chain rules for the transformation... 

The data on the absorption spectra of permanganate ion in different crystalline fields is interpreted in terms of the symmetries of the excited states predicted by our calculations. 

Although eq. (10.103) for the propagator appears to involve the same effort as the perturbation approach (sum over all excited states, eq. (10.18)), the actual calculation of the propagator is somewhat different. Returning to the time representation of the polarization propagator, it may be written in terms of a commutator. 

By omitting time-dependent terms, as in the preceding paragraph, the liP ) function may be read as the sum of the unperturbed wavefunction ) and a term which is the product of this function by a linear combination of the electronic coordinates, i.e. the Kirkwood s j) function. Thus, the (r) dipolar factor ensures gauge-invariance. But the role of the dipolar factor g f) in this mixed method is essential on the following point its contribution in the a computation occurs in a complementary (and sometimes preponderant) way to that calculated only from the n) excited states, the number of which is unavoidably limited by the computation limits. But before discussing their number, we have to comment the description of these states. 

We have first been concerned with the computational point of view. Through the calculation of the dynamic polarizability of CO, we have developed a method based on the conventional SCF-Cl method, using the variational- perturbation techniques the first-order wavefunction includes two parts (i) the traditional one, developed over the excited states and (ii) additional terms obtained by multiplying the zeroth—order function by a polynomial of first-order in the electronic coordinates. This dipolar... 

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