Collision of a spherical top molecule with an atom

BASISTYPE = 24

System subroutine: sysphtp

Basis subroutine: hiba24_sphtp.F90

Ref. J. M. Hutson and A. E. Thornley, J. Chem. Phys. 100, 2505 (1994); T. G. A. Hiejmen, T. Korona, R. Moszynski, P. E. B. Wormer, and A. van der Avoird, J. Chem. Phys. 107, 902 (1997).

The definition of the integer system dependent parameters is as follows:

• NTERM: the number of potential surfaces involved. This parameter should equal the number of MU terms in the angular expansion of the potential. This parameter can not be changed

• NUMPOT: an index representing the particular potential used. This variable is passed to the POT subroutine

• IOP: nuclear spin modification label for the molecular states:
  • if IOP = 1: only A levels included in channel expansion
  • if IOP = 2: only E levels included in channel expansion
  • if IOP = 3: only F levels included in channel expansion
• JMAX: the maximum rotational angular momentum included in the channel expansion

The definition of the real system dependent parameter is as follows:

• BROT: rotational constant of the sphericxal top