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Required values of J, P and p for various reactions
Reaction
J
P
p
A+B₂($j=0$ )
0,1,2,...
(-1)$J$
+1
A+B₂($j>0$ )
0
+1
(-1)$j$
1,2,3,...
±1
(-1)$j$
A+BC($j=0$ )
0,1,2,...
(-1)$J$
n/a
A+BC($j>0$ )
0
+1
n/a
1,2,3,...
±1
n/a
Input parameters for the test calculation on the F+HD($v=0,j=0$ ) reaction
Parameter
Explanation
mass = 19,1,2
Masses of the three atoms in atomic mass units.
jtot = 0
Total angular momentum quantum number $J$ .
ipar = 1
Triatomic parity eigenvalue $P$ .
jpar = 0
Diatomic parity eigenvalue $p$ .
emax = 1.7
Maximum internal energy in any channel (in eV).
jmax = 15
Maximum rotational quantum number of any channel.
kmax = 4
Helicity truncation parameter kmax.
rmax = 12.0
Maximum hyperradius $\rho$max (in bohr).
mtr = 150
Number of log derivative propagation sectors.
enrg = 0.233
Initial scattering energy (in eV).
dnrg = 0.001
Scattering energy increment (in eV).
nnrg = 48
Total number of scattering energies.
nout = 0
Maximum value of v for which output is required.
jout = 0
Maximum value of j for which output is required.