Basis Subroutine and System Specific Parameters: Collisions Involving an Atom in a ^1,3P Electronic State

System subroutine: sy13p

Basis subroutine: hiba13p.f

NTERM (the number of potential surfaces involved: this should be 1 in this case). This parameter can not be changed

NSTATE: number of electronic states included

0: just singlet state
1: just triplet state
2: both singlet and triplet state

IPOL: selects whether ¹P_1e states are combined to form proper ¹_e and ¹_e combinations [see B. Pouilly and M. H. Alexander, Chem. Phys. 145, 191 (1990)]
0: normal case, no linear combinations made
1: linear combinations made (just for JLPAR = -1)

E-3P0, E-3P1, E-3P2: energies of ³P spin-orbit levels

E-1P1: energy of ¹P level relative to lower ³P level then follow the parameters for the morse-spline-van der waals description of potential curves [see B. Pouilly and M. H. Alexander, J. Chem. Phys. 86, 4790 (1987)] DE(3PI), DE(3SG), DE(1PI), DE(1SG): Morse D_e

RE(3PI), RE(3SG), RE(1PI), RE(1SG): Morse R_e

BE(3PI), BE(3SG), BE(1PI), BE(1SG): Morse ß

RL(3PI), RL(3SG), RL(1PI), RL(1SG): Onset of Long-range behavior

C(3PI), C(3SG), C(1PI), C(1SG): Coefficent of R^-6

CMIX: extent of mixing between ¹P₁ and ³P₁ levels; the mixing angle in a 2x2 rotation is theta=acos(CMIX)

line 1: NSTATE, IPOL, NPOT
where NPOT is an integer which designates a particular choice of potential within the POT subroutine, and the other parameters are defined above

line 2: E-3P0, E-3P1, E-3P2

line 3: E-1P1, CMIX

line 4: DE, RE, BE, RL, CL for ³ state

line 5: DE, RE, BE, RL, CL for ³ state

line 6: DE, RE, BE, RL, CL for ¹ state

line 7: DE, RE, BE, RL, CL for ¹ state

line 8: DEMOR, REMOR, BEMOR, DISSMOR (additional parameters, see the src/pot/pot_cahe.f subroutine)

line 9: RGAUS, AGAUS, ALPHG (additional parameters, see the src/pot/pot_cahe.f subroutine)