Code |
c
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c
c
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c
subroutine fnagex2(pt, pcf, kncf, pfit, kermsg)
c
c this is an iaea subroutine to calculate the electron impact
c excitation cross sections as a function of the electron
c energy in eV.
c
c Cross sections are calculated from the collision strengths:
c xs (pi*a0**2) = cs / wi / Ee (Ryd) where
c Ee energy of the impact electron in Rydberg
c wi statical weight of the initial state
c
c pt = electron energy in ev
c pcf is the coefficient data array, where
c pcf(1) = itype, index for type of fit, either 1 or 2
c pcf(2) = excitation energy , v (also referred to as delta e)
c pcf(3) = lower limit of fitting of reduced energy x
c pcf(4) = upper limit of fitting of reduced energy x
c pcf(5) = statistical weight of initial state (2s+1)*(2l+1)
c pcf(6) = parameter A
c pcf(7) = parameter B
c pcf(8) = parameter C
c pcf(9) = parameter D
c pcf(10) = parameter E
c type 1: cs = A + B/X + C/(X*X) + D/(X*X*X) + E*log(X)
c
c if ftype = 2, the pcf array element 10 can be followed by
c pcf(11) = parameter F
c type 2: cs = A/(X*X) + B*exp(-F*X) + C*exp(-2*F*X) + D*exp(-3*F*X) + E*exp(-4*F*X)
c
c This can be followed by three more parameters for
c the region which contains resonances represented by a linear term
c resonnance region: cs = PX + Q where 1 < X < X1
c type 1:
c pcf(11) = parameter P
c pcf(12) = parameter Q
c pcf(13) = parameter X1, the upper limit of the range over which
c the collision strength is represented by a linear
c approximation.
c type 2:
c pcf(12) = parameter P
c pcf(13) = parameter Q
c pcf(14) = parameter X1, the upper limit of the range over which
c the collision strength is represented by a linear
c approximation.
c
c kermsg = blank if no errors
c pfit = cross section in cm2
c
c written by D. Humbert , iaea atomic and molecular data unit
c fit function from ADNDT,33,149,(1985) y. itikawa et al, nagoya
c 22 August 2006
c
c------------------------------------------------------------------------
c
double precision pt, pcf, pfit
dimension pcf(14)
character*(*) kermsg
data s/0.5/
c
kermsg = ' '
itype = pcf(1)
pia02 = .87973554e-16
rydberg = 13.6056981
wi = pcf(5)
vif = pcf(2)
A = pcf(6)
B = pcf(7)
C = pcf(8)
D = pcf(9)
E = pcf(10)
c
X = pt/vif
c
if (itype .eq. 2) then
F = pcf(11)
ioffset = 1
else
ioffset = 0
endif
if (kncf .ge. 12) then
P = pcf(11 + ioffset)
Q = pcf(12 + ioffset)
X1 = pcf(13 + ioffset)
itype = 3
else
X1 = 0.
endif
c
c--- rate coefficient with resonances: itype = 3
if (itype .eq. 3) then
cs = P*X + Q
c--- rate coefficient without resonances
else if (itype .eq. 1) then
cs = A + B/X + C/(X*X) + D/(X*X*X) + E*log(X)
else if (itype .eq. 2) then
cs = A/(X*X) + B*exp(-F*X) + C*exp(-2*F*X) +
1 D*exp(-3*F*X) + E*exp(-4*F*X)
else
kermsg = ' invalid integer for fit type in fnagex (1 or 2)'
return
endif
c
c collision strengh to cross section
pfit = (cs * pia02 * rydberg) / (wi * pt)
c
if (pfit .le. 0.0d0) then
kermsg =
1 ' error reaction rate is negative check data and temp. range '
return
endif
c
end |