Multichannel potential matrix

For multichannel scattering where there are two or more open channels, the S matrix is a true matrix with elements Sy and the cross section for the transition from channel i to channel j is proportional to 5y - Sy 2. The symmetry of collision processes with respect to the time reversal leads to the symmetric property of the S matrix, ST = S, which, in turn, leads to the principle of detailed balance between mutually reverse processes. The conservation of the flux of probability density for a real potential and a real energy requires that SSf = SfS = I, i.e., S is unitary. For a complex energy or for a complex potential, in general, the flux is not conserved and S is non-unitary. 

This work introduced the concept of a vibronic R-matrix, defined on a hypersurface in the joint coordinate space of electrons and intemuclear coordinates. In considering the vibronic problem, it is assumed that a matrix representation of the Schrodinger equation for N+1 electrons has been partitioned to produce an equivalent set of multichannel one-electron equations coupled by a matrix array of nonlocal optical potential operators [270], In the body-fixed reference frame, partial wave functions in the separate channels have the form p(q xN)YL(0, radial channel orbital function i/(q r) and antisymmetrized in the electronic coordinates. Here 0 is a fixed-nuclei A-electron target state or pseudostate and Y] is a spherical harmonic function. Both and i r are parametric functions of the intemuclear coordinate q. It is assumed that the target states 0 for each value of q diagonalize the A-electron Hamiltonian matrix and are orthonormal. 

The / -matrix method is a multichannel generalisation of the calculation of potential scattering described in section 4.4.3. It was introduced by Wigner and Eisenbud (1947) to describe neutron-nucleus reactions at low energy. Its application to electron—atom scattering has been described by Burke and Robb (1975). 

The theory needed to interpret the experimental results and to obtain information on the potential from them has been given and reviewed elsewhere [7-9,lb]. Basically, one has to solve a multichannel Schroedinger equation which can be written, in a matrix notation. 

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