Basis Subroutine and System Specific Parameters: Collisions between a ^{1, 2, 3}Pi Molecule and a Spherical Atom

System subroutine: sypi

Basis subroutine: hibapi.f

NTERM (the number of potential surfaces involved: this should be 2 in this case). This parameter can not be changed

JMAX: maximum rotational quantum number

For a ²Pi molecule, JMAX is the maximum rotational quantum number minus 1/2; so that the allowed channel rotational angular momenta run from 1/2 to JMAX+1/2.

IGU: inversion symmetry of states included in expansion.

IGU = +1 for gerade states
IGU = -1 for ungerade states
For heteronuclear molecules (IHOMO = .false), IGU is ignored but should be set to +1

ISA: Nuclear permutation symmetry (s/a label) of states included in expansion.

If the flag IHOMO is .TRUE., then only s states will be included if ISA = +1 and only a states if ISA = -1

NPAR: number of lambda-doublet components included

If NPAR = 1, just = +1 states are included
If NPAR .ne. 1, both = +1 and = - 1 states are included


IMULT: spin-multiplicity of Pi state (IMULT = 2 S + 1)

NMAN: number of spin-orbit manifolds included

For a ²Pi state, NMAN = 1 selects the nominally omega = 1/2 manifold

in all other cases, NMAN is set equal to IMULT

BROT: rotational constant

ASO: spin-orbit constant

O, P, Q: lambda-doubling constants. Not all of these parameters are used for the different multiplicities, see the subroutine src/hibapi.f


DMON, EFIELD: variables not currently used (4-21-1996)