Command EADIAB

The command EADIAB requests the determination of the adiabatic energies as a function of R. These are defined by Eq. (6) of the help link which summarizes the close coupling method.

The command line syntax is

where The only adiabatic energies which are written out are those which correlate adiabatically at large R with the internal states of the collision partners whose rotational angular momenta and additional indices are specified in the arrays JOUT and INDOUT. Specifically, adiabatic energies are given for each channel for which and for which the vector element INDOUT(i) corresponds to the quantum number L and the extra index of the desired channel packed into a single array as follows:

The asymptotic energy ordering of the internal states can be determined by running with the flag BASTST set .TRUE.

The adiabatic energies are determined at all values of R lying between RENDLD and RENDAI, with the grid size and spacing controlled by the same parameters which govern the AIRY integration, namely SPAC, FSTFAC, TOLAI, and RINCR.

Highly localized avoided crossings of the adiabatic curves often occur. Use of a fine grid in R is the only way to interpret properly the adiabatic energies in these cases.

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