Basis Subroutine and System Specific Parameters: Collisions between a 1Sigma Molecule and a Spherical Atom
BASISTYPE = 1
Ref. W. A. Lester, Jr., Meth. Comput. Phys. 10, 211 (1971).
The definition of the integer system dependent parameters is as follows:
NTERM (the number of potential surfaces involved: this should be 1
in this case). This parameter can not be changed
VIBMN: vibrational quantum number of lowest included vibrational
level
VIBMX: vibrational quantum number of highest included vibrational
level
to treat rotationally inelastic scattering of a rigid rotor, set VIBMN and VIBMX equal
to 1
JMIN: minimum molecular rotational level included in channel basis
JMAX: maximum molecular rotational level included in channel basis
The definition of the real system dependent parameters is as follows, with
values repeated for each vibrational level included
The system dependent input paramaters are as follows:
line 1: NVIB, VIBMN, VIBMX
where NVIB is the number of different vibrational levels included
in the channel basis, and VIBMN and VIBMX are defined above.
Obviously,
lines 2, 5, 8, ... : JMIN, JMAX
minimum and maximum rotational quantum numbers for each vibrational manifold
lines 3, 6, 9, ... : BROT, DROT, HROT
rotational constants (wavenumbers) for each vibrational manifold
lines 4, 7, 10, ... : EVIB
vibrational term (wavenumbers) for each vibrational manifold
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