Command TENXSC

TENXSC,JOB,IENERG,IFRAME,LAMMAX,KMAX,IN1,IN2,JTOTMX,JMIN,JMAX

JOB,IENERG  The program searches for an S-matrix in the file Job{ienerg}.smt, where IENERG is an integer (IENERG = 1, 2, ... etc.)

• The default values of JOB is JOB and of INERG is 1

IFRAME=0: The quantization axis is defined as the laboratory Z-axis, with an isotropic relative velocity distribution.

IFRAME=1: The quantization axis lies along the initial relative velocity vector (collision frame).

IFRAME=2: The initial level has quantization axis along the initial relative velocity vector, and the final level has quantization axis along the final velocity vector (helicity frame). In this case, m-resolved differential cross sections are computed over a grid of scattering angles (0.5 deg spacing) for the (J1MIN,IN1) -> J1MIN,IN1) elastic transition, and then differential tensor cross sections are computed. The differential tensor cross sections are numerically integrated to determine integral tensor cross sections.

KMAX   The maximum value of the multipole order for which tensor cross sections are calculated. Cross sections for all values of K_i and K_f .le. KMAX are calculated.

IN1,IN2  The initial and final values of the additional index

JTOTMX  The maximum value included in the summation over total angular momentum (upper case J in Eqs. 30 and 31 of the above article)

JMIN,JMAX  Tensor cross sections are computed for all values of the molecular rotational quantum number (lower case j_i and j_f in Eqs. 30 and 31 of the above article) ranging from JMIN to JMAX.

To determine the S-matrix elements required by the command TENXSC, you must carry out a prior calculation with

the flag WRSMAT= .true.

JMIN ... JMAX included in the array JOUT

IN1 and IN2 included in the array INDOUT