Energy continuum

J. Troe Prof. Schinke, in your HCO results, when you compare the fluctuating quantum results with RRKM results, you observe that the RRKM curve is above the average quantum data. Can the reason be that you use an inadequate p( ) for the continuum energy range ... 

Because we have already included the vdW energies in the continuum energy up to second order, only higher-order contributions would arise from the replacement of the continuum by a real... 

S. Mengali, R. Moccia, Non-empirical core polarization effects on the optical properties of Mg(I) I. discrete and continuum energy spectrum up to the third ionization threshold, J. Phys. B At. Mol. Opt. Phys. 29 (1996) 1597. 

With current computational methods, accurate fixed-nuclei R-matrices RFN can be obtained that interpolate smoothly in a vibrational coordinate q and in the electronic continuum energy e. The fixed-nuclei phase matrix T///v is defined such that... 

In most direct photodissociation cases the laser s bandwidth is much narrower than that of the absorption spectrum and the limit opposite to Eq. (2.83) is realized.. Under such circumstances we can approximate, in Eq. (2.28), the narrow range of energies accessed by the laser by a single continuum energy level E0, and write... 

In Figure 10.2a we show the hE n(t) continuum coefficients [Eq. (10.44)] function of time, at different intensities. The onset of off-resonance processes- typified by a nonmonotonic behavior At off-pul se-center energies, the continuii coefficients rise and fall with the pulse, with the effect becoming more pronouns the further away from the line center the continuum energy levels are. In the wings of the pulse the continuum coefficients are zero at the end of the pulse, giv rise to a pure transient, otherwise known as a virtual state. These results should compared to the weak-field transients discussed in Section 2.1 and shown inFi ... 

Again q = 1/2, so AEj = -AEj>z[n/4(n - 2)2z2] and is rather small (7-11 kJ/mole). Hush considered AEj to be 50% of the total activation energy, the remainder being Outer Continuum energy. Since it again contains q(l - q), introduction of the overpotential as before again gives a symmetry factor (C + fri)/2C, where... 

It follows that an equation of Bom type, but based on different physical principles (Eq. 56) is a good approximation for the continuum energy in dipolar liquids up to the onset of dielectric saturation at x = 3, provided it is integrated from an appropriate distance somewhat less than that of the superdipole center of the innermost solvation shell from the central ion. This corrected radius will differ from the distance from the ion to the dipole centers of the solvation shell under consideration by about 50% more than the radius of a water molecule. 

Here 6 is the Heaviside step function and the effective mass is M = m/Ak2L. In (6) we have divided U(q) between Ih,. whose eigenstates are strictly bound if their energy fix, < Um, and a potential V < 0 in the time-modulated perturbation e(t)V. This perturbation allows the particle to tunnel periodically from the bound state to the the unbound (continuum-energy) eigenstates of H whenever e(t) = 1 in Eq. (4). This form conforms to Eq. (1) and answers query (a) (Fig. 1-insets). 

The problems associated with the preparation of ions in selected energies or states differ from those of neutrals in that the species to be state selected lie in the ionization continuum. Energy selection cannot be accomplished simply by photoexcitation of a ground-state molecule because the energy removed by the departing electron must be... 

The laser frequencies are tuned to induce one-photon resonant transitions from 0) to the intermediate states and to be in one-photon resonance with the transitions from the intermediate states to the continuum energy E of the degenerate multichannel states (I = Similar schemes have... 

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