Molcol : a program for solving atomic and molecular collision problems
Flower, Bourhis and Launay (2000, Computer Physics Communications, 131, 187) have published a computer code, molcol.f, which solves problems of atomic and molecular scattering, using the quantal coupled channels method. Sample data sets are provided for He-H2 rovibrationally inelastic scattering (molcol.dat1_He-H2, molcol.dat2_He-H2) and for the excitation of fine structure transitions of 0 in collisions with H2 (molcol.dat1_0-H2, molcol.dat2_0-H2).
Also required are the routines which interpolate the interaction potentials : cpot.f_He-H2 and cpot.f_0-H2 .
Matrix multiplication and inversion routines are linked from the blas and lapack libraries.