VI/121 Linelist of HCN and HNC (Harris+, 2006)
Energy level list and linelist of HCN/HNC.
Harris G.J., Tennyson J., Kaminskiy B., Pavlenko Y.V., Jones H.R.A.
<Mon. Not. R. Astron. Soc., 367, 400-406 (2006)>
=2006MNRAS.367..400H 2006MNRAS.367..400H
ADC_Keywords: Atomic physics ; Radio lines ; Opacities
Keywords: molecular data - stars: AGB - stars: atmospheres - stars: carbon -
infrared: general
Abstract:
We build an accurate database of 5200 HCN and HNC rotation-vibration
energy levels, determined from existing laboratory data. 20000 energy
levels in the Harris et al., 2002ApJ...578..657H 2002ApJ...578..657H (HPT), linelist are
assigned approximate quantum numbers. These assignments, lab
determined energy levels and HPT energy levels are incorporated in to
a new energy level list. A new linelist is presented, in which
frequencies are computed using the available lab determined energy
levels, and the HPT ab initio energy levels otherwise.
Description:
We present an energy level list which contains the ab initio energies
and exact quantum numbers from HPT, together with lab determined
energies and assigned approximate quantum numbers where available. A
new HCN/HNC linelist is presented. Lab determined energy levels were
used to compute accurate line frequencies, where available. Where lab
data is not available frequencies are computed from ab initio energy
levels. The linelist is truncated at a minimum frequency of
3*10-28cm/mol at T=3000K. Resulting in a linelist of 38 million
lines, which accounts for 99.99% of the opacity of the full linelist
at 3000K. The file has been compressed using bzip2. The data is sorted
into increasing frequency order. A FORTRAN code is supplied to convert
the Einstein A coefficients of HPT and the new energy level list into
a usable linelist.
File Summary:
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FileName Lrecl Records Explanations
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ReadMe 80 . This file
enlvs.dat 71 168110 Energy level list of HCN/HNC
hcnlist.dat 104 34433190 *Line list of HCN/HNC
dv2_0.f 83 257 FORTRAN code to convert Einstein A coefficients
and energy levels to usable linelist
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Note on hcnlist.dat: this huge file (3.6Gb) is split into 61 pieces,
hcnlist.dat.00 to hcnlist.dat.60, arranged according to the
transition wavenumber.
-- files hcnlist.dat.00 to hcnlist.dat.54 contain the
wavenumbers 0 to 5500 cm-1 with an interval of 100cm-1;
-- file hcnlist.dat.55 contains wavenumbers 5500 to 6000cm-1;
-- files hcnlist.dat.56 to hcnlist.dat.59 contain the
wavenumbers 5600 to 10000cm-1 with an interval of 1000cm-1;
-- file hcnlist.dat.60 contains wavenumbers ≥ 10000cm-1.
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See also:
VI/119 : High accuracy computed water line list - BT2 (Barber+, 2006)
VI/131 : Linelist of H13CN/HN13C (Harris+ 2008)
Byte-by-byte Description of file: enlvs.dat
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Bytes Format Units Label Explanations
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1- 6 I6 --- Index [1,168110] Unique index number of state
8- 9 I2 --- J [0,60] Rotational quantum number of lower state
11 I1 --- P [0,1] Parity of the lower state
13- 16 I4 --- n [1,2220] Number of lower states in J-parity block
18- 29 F12.6 cm-1 Eai ab initio energy of the state
31- 32 I2 --- iso [-2,1] Isomer configuration of state 0=HCN, 1=HNC
34- 35 I2 --- v1 [-2,3] H-(CN) stretch approximate quantum number
37- 38 I2 --- v2 [-2,14] Bend approximate quantum number of state
40- 41 I2 --- l [-2,13] Vibrational angular momentum approximate
quantum number of state
43- 44 I2 --- v3 [-2,4] C-N stretch approximate quantum number
46- 57 F12.6 cm-1 Elab ? Lab/empirical energy of the state
61- 68 E8.3 cm-1 e_Elab ? Estimated error on the lab empirical energy
71 A1 --- n_Elab [ect] Label identifying origin of the
lab/empirical data (3)
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Note (3): Label as follows:
e = lab determined
c = interpolated
t = corrected ab initio
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Byte-by-byte Description of file: hcnlist.dat
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Bytes Format Units Label Explanations
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1- 12 F12.6 cm-1 Freq Wavenumber of the transition
14- 25 F12.6 cm-1 E" Energy of the lower state
27- 28 I2 --- J" [0,60] Rotational quantum number of the lower state
30 I1 --- P" [0,1] Parity of the lower state.
32- 35 I4 --- n" Number of lower state in J-parity block
37- 38 I2 --- J' [0,60] Rotational quantum number of the upper state
40 I1 --- P' [0,1] Parity of the upper state.
42- 45 I4 --- n' Number of upper state in J-parity block
47- 55 E9.4 s-1 A Einstein A coefficient of the transition
57- 62 I6 --- Index" [1,168109] Unique index number of lower state
64- 69 I6 --- Index' [2,168110] Unique index number of upper state
72- 73 I2 --- iso" [-2,1] Isomer configuration of lower state
(0=HCN, 1=HNC)
75- 76 I2 --- v1" [-2,3] H-(CN) stretch approximate quantum number
of lower state.
78- 79 I2 --- v2" [-2,14] Bend approximate quantum number lower state
81- 82 I2 --- l" [-2/13] Vibrational angular momentum approximate
quantum number of lower state
84- 85 I2 --- v3" [-2,4] C-N stretch approximate quantum number
of lower state
88- 89 I2 --- iso' [-2,1] Isomer configuration of upper state
91- 92 I2 --- v1' [-2,3] H-(CN) stretch approximate quantum number
of upper state
94- 95 I2 --- v2' [-2,14] Bend approximate quantum number upper state
97- 98 I2 --- l' [-2/13] Vibrational angular momentum approximate
quantum number of upper state
100-101 I2 --- v3' [-2,4] C-N stretch approximate quantum number
of upper state
103-104 A2 --- Lab [ai lb] Label (1)
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Note (1): Label as follows:
ai = ab initio frequency
lb = lab determined frequency
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Acknowledgements:
Gregory Harris, greg(at)theory.phys.ucl.ac.uk
(End) Gregory Harris [UCL, London, UK], Patricia Vannier [CDS] 16-Dec-2005