Cross sections, differential and integral

Baer M, Loesch H J, Werner H J and Last I 1994 Integral and differential cross sections for the Li + HF to LiF + H process. A comparison between quantum mechanical and experimental results Chem. Phys. Lett. 219 372... 

It is generally accepted that the centrifugal sudden (CS) approximation is the most reliable approximate method. Its results are usually very close to those obtained by ab initio close coupling (CC) calculations. The integral and differential cross-sections of Ar inelastic scattering on nitrogen were performed for a few low-frequency rotational transitions and four different interaction potentials [205]. Much better agreement of CC with CS results was found than with IOS calculations performed in... 

Connor J. N. L., Sun H., Hutson J. M. Exact and approximate calculations for the effect of potential anisotropy on integral and differential cross-sections Ar-N2 rotationally inelastic scattering, J. 

Equations (4.30) and (4.31) have been developed and dehned within a time-dependent framework. These equations are identical to Eqs. (35) and (32), respectively, of Ref. 80. They differ only in that a different, more appropriate, normalization has been used here for the continuum wavefunction and that the transition dipole moment function has not been expanded in terms of a spherical harmonic basis of angular functions. All the analysis given in Ref. 80 continues to be valid. In particular, the details of the angular distributions of the various differential cross sections and the relationships between the various possible integral and differential cross sections have been described in that paper. 

Gianturco, FA. and Stoecklin, T. (1996). Hie elastic scattering of electrons from CO2 molecules I. Close coupling calculations of integral and differential cross sections, J. Phys. B 29, 3933-3954. 

The first exact quantum calculations of integral and differential cross sections on the adiabatic state were reported in 2001 by Honvault and Laimay [15,81]. They have carried out quantum reactive scattering calculations of the title reaction on the DK PES within the Time Independent Quantum Mechanical (HQM) framework using the hyperspherical close-coupling method. 

Chemistry is a broad discipline of science but e cntral to it is chemical reactions. Studies of chemical reactions have traditionally focussed on determining thermal rate constants. With the avciilability of lasers, more detciiled quantities such as integral and differential cross sections become accessible, even on a state-to-statc level in favourable cases. While initiciUy experimental efforts dominated, today the develojjment goes hand in hand with theoretical efforts which become more and more accurate. 

It has been found that the RBU model gives rate constants in good agreement with accurate MCTDH calculations. The model can however additionally be used to calculate for instance state-to-state integral and differential cross sections. In particular for the CI+CH4 and CI-I-CD4 reactions there cue many experimental results tt) compare with and the agreement between these and the RBU and RLU results is generally very good. 

For relatively low total energies E (in the 0.7 to 1.5-eV range with respect to the bottom of the isolated H2 diatom well), para -> ortho and ortho - > para integral and differential cross sections are essentially not affected by the presence of the conical intersection [12]. However, para - para and ortho -> ortho differential cross sections are strongly affected, as exemplified in Fig. 6. Inclusion of the GP effect results in a... 

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