The data file AMJUEL: Additional Atomic and Molecular ... - eirene

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INDFF=INDEX(ZEILE,’fit-flag’) IF (INDEX(ZEILE,’Index’)+INDFF.EQ.0) GOTO 16 IF (INDFF > 0) THEN READ (ZEILE((INDFF+8):80),*) IFTFLG(IR,IFLG) GOTO 16 ENDIF READ (29,’(1X)’) IF (MOD(IFTFLG(IR,IFLG),100) == 10) THEN CREAC(:,:,IR)=0._DP READ (29,*) IH,CREAC(1,1,IR) EXIT ELSE DO 17 I=1,9 READ (29,*) IH,(CREAC(I,K,IR),K=J*3+1,J*3+3) 17 CONTINUE END IF 11 CONTINUE C NO ASYMPTOTES AVAILABLE YET C ENDIF C CLOSE (UNIT=29) C RETURN C 990 WRITE (6,*) ’ NO DATA FOUND FOR REACTION ’,H123,’ ’,REAC, . ’ IN DATA SET ’,FILNAM WRITE (6,*) ’ IR,MODCLF(IR) ’,IR,MODCLF(IR) CLOSE (UNIT=29) CALL EXIT 991 WRITE (6,*) ’ INVALID CONSTANT IN SLREAC. CONST= ’,CONST WRITE (6,*) ’ CHECK "REACTION CARDS" FOR REACTION NO. ’,IR CLOSE (UNIT=29) CALL EXIT 6664 FORMAT (6E12.4) END 24
Types of Data, general prescriptions H.0: interaction potentials The classical elastic collision kinetics is determined by the interaction potential V (r). In EIRENE for given (random sampling) impact parameter b and relative collision energy Er (in eV) the deflection angle χ in the center of mass system is computed and the test particle velocity is then changed accordingly in the laboratory system. There are various options for potential functions V (r). The potential is always in eV, and the distance r (and also b in EIRENE) are in (atomic) units of the Bohr radius a0 = 0.529 × 10 −8 cm. The parameter FIT-FLAG determines which particular fit expression is used for the potential. The potential V (r) can be specified then by up to 9 fit coefficients p0, . . . , p8, see Section 0. FIT-FLAG= =1 purely repulsive potential: to be written =2 Morse like potential: with with the parameters: p0 = ϵ (eV) p1 = g1 p2 = g2 V (r) = ϵ [ e 2g(1−ρ) − 2e g(1−ρ)] ρ := r/rm ; g := { g1 for ρ < 1 g1g2 for ρ ≥ 1 p3 = rm (in units of a0), the minimum of V (r) : V (rm) = −ϵ Derived Parameters ( are: ) ln 2 p4 = r0 = rm 1 − , the root of V (r) : V (r0) = 0 g1 ( ) p5 = rw = rm 1 + , the point of inflection of V (r) p6 not in use p7 = V (rw) = − 3ϵ 4 p8 not in use ln 2 g1g2 H.1: cross section vs. energy Fits for σ(Elab,1) [cm 2 ] Collision cross are functions of relative velocity, but, due to historic reasons in the EIRENE databases, which initially had been build on data of ref. [2], the laboratory energy of one of the colliding particles (usually the charged particle) is used, with the second collision partner (usually the neutral particle) being at rest. I.e., σ = σ(Elab,1). To convert to center of mass energies, one uses Elab,1 = m1/2 v 2 1 and ECM = µ/2 v 2 rel with µ = m1m2/(m1 + m2) being the reduced mass and vrel = |v1 − v2| the relative collision velocity H.2: rate coefficients vs. temperature (zero beam energy) Fits for ⟨σ · v⟩(Tp) [cm 3 /s] 25 (1) (2)
Page 1 and 2: The data file AMJUEL: Additional At
Page 3 and 4: 1.2.9 Reaction 0.3V p + H2 → p +
Page 5 and 6: 4.17 Reaction 2.3.9b e + He(1|1S)
Page 7 and 8: 11.7 Reaction 2.0b p + H2(v = 0)
Page 9 and 10: Introduction Record: • update 6.1
Page 11 and 12: H.12 7.2 a,b,c,d reduced pop. coeff
Page 13 and 14: • update 11.05/04 H.11 2.0a, 2.0b
Page 15 and 16: Additional atomic data fits, read b
Page 17 and 18: C PARAMETER E (E.G. C PROJECTILE EN
Page 19 and 20: C C C ENDIF IF (H123(4:4).EQ.’
Page 21 and 22: ELSEIF (ISW.EQ.10) THEN MODCLF(IR)=
Page 23: DO 7 I=4,6 INC=INDEX(ZEILE((IND+1):
Page 27 and 28: where ⟨· · ·⟩ denotes averag
Page 29 and 30: we have subtracted the (negative) p
Page 31 and 32: 0 H.0 : Fits for Potentials 0.1 Rea
Page 33 and 34: 0.3 Reaction 0.3T p + H2 → p + H2
Page 35 and 36: 0.5 Reaction 0.5T p + Ne → p + Ne
Page 37 and 38: 0.7 Reaction 0.7T p + Kr → p + Kr
Page 39 and 40: 0.9 Reaction 0.100 bulk-electrons o
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Page 44: 1.2.4 Reaction 0.2T p + He(1|1s)
Page 47: 1.2.10 Reaction 0.5T p + Ne → p +
Page 52: 1.2.16 Reaction 0.7T p + Kr → p +
Page 56 and 57: 1.2.22 Reaction 3.1.6FJ p + H → .
Page 58: 1.2.23 Reaction 3.1.8R p + H(1s)
Page 61: 1.3 He + impact processes 1.3.1 Rea
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Page 67: 2.5 Reaction 2.2.17 e + H2 → e +
Page 71: 2.8 Reaction 2.2FJ e + He(1|1S) →
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2.13 Reaction 2.5B0 e + B → e + B
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2.15 Reaction 2.6B0 e + C → e + C
Page 79:
2.17 Reaction 2.7B0 e + N → e + N
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2.20 Reaction 2.18B0 e + Ar → e +
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3 H.3 : Fits for ⟨σv⟩(E, T ) 3
Page 90 and 91:
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3.4 Reaction 0.2D p + He(1s) → p
Page 95:
3.5 Reaction 0.3T p + H2 → p + H2
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References [1] A.B.Ehrhardt, W.D.La
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