TiO data

TiO line lists calculated by Bertrand on 29 May 2008. The files are in Uppsala at /h5/plez/TiOVALD/linelist/linelist??_all.dat.gz
For files with non-resolved lambda-doubled lines merged see below (under "Lambda doubling").

Number of lines:

Isotope	N_merg	N_orig
46	8193347	11140205
47	8194614	11141521
48	8195512	11142777
49	8196355	11143980
50	8197133	11144857
total	40976961	55713340

N_orig ... original lists
N_merg ... non-resolved lambda-doubled lines merged

Transitions in BP's line list

Lambda doubling

-- BertrandPlez 28 Jan 2009:

Some transitions are affected by Lambda-doubling. In that case there are 2 sublevels that give rise to transitions, and if the separation is large enough, they appear in the list as 2 lines with the same parameters except for the parity of the upper and lower level, and a slightly different wavenumber. The degeneracy of these sublevels is 2*J+1. When the Lambda-doubling is too small there are 2 lines with exactly the same data (except the parities). One way to compact the list is to merge these lines and double the gf-value 2*(2*J+1)*f.

For some transitions Lambda-doubling does not exist (if Lambda=0, i.e if one of the states is a Sigma state).

-- UlrikeHeiter 2009-02-06 08:37:27 - Lambda-doubled lines with same wavenumbers have been merged according to BP's comment above.

The new files are in Uppsala at /h19/ulrike/Molecules/Data/TiO/linelist??_all_nodoubling.dat.gz

The merging code is at /h19/ulrike/Molecules/Data/TiO/tio_plez_rm_doubling.pro

In the calculated lists, parity is given by the syml and symu quantum numbers, which can be 1 or -1. In the merged lists, syml and symu are set to 0 for the merged lines.

lambda doubling in calculated lists in gamma prime system
- P1,Q1,R1: lambda doubling resolved for all lines
- P2,Q2,R2: lambda doubling resolved for J_low>~10
- P3,Q3,R3: lambda doubling resolved for J_low>=3
- "resolved" here means: wavenumber difference >=0.001
wavenumber (wn) difference for calculated lambda-doubled lines in gamma prime system
- P1,P2,R1,R2 (all v-v):
  - for even J_low: wn(syml=-1) > wn(syml=1),
  - for odd J_low vice versa
- Q1,Q2: reverse of P
  - for even J_low: wn(syml=1) > wn(syml=-1),
  - for odd J_low vice versa
- PQR 3: reverse of PQR 1,2
- for the actual values for PQR 1 and 2 see the plots below (the values are the same for each of the three v-v combinations 0-0, 1-0, 0-1), and compare to the plots for observed lambda-doubled lines further down

Observed wavenumbers

A separate list with observed wavenumbers from Phillips (Bertrand Plez, priv. comm. 17 Sep 2008, 14 May 2009) and calculated other values from Plez (from the list with lambda-doubled lines merged), has been generated. Reference: Davis et al. 1986, ApJ 309, 449.

It contains lines in the alpha, beta, gamma, gamma prime systems with range:

wavenumber(cm^-1)	wavelength(Å)
	vacuum	air
20997.64	4762.440	4761.109
11383.24	8784.845	8782.433

Isotope: ⁴⁸Ti (see Davis et al. 1986, IV.a p. 452)

The original list is at /h19/ulrike/Molecules/Data/TiO/TiO-Phillips-OBS.dat and has 35584 lines.

Content: "Obs", vupp, vlow, Jlow, "+", branch, ".0000E+00", wavenumber, ".000", system

The converted list (ascii format, same format as calculated list) is at /h19/ulrike/Molecules/Data/TiO/TiO-Phillips-OBS-vald.asc and has 35913 lines.

The conversion code is at /h19/ulrike/Molecules/Data/TiO/tio_phillips_to_vald_ascii.f

The list has been sorted by wavelength after running the conversion code.

Differences between observed and calculated wavelengths, O-C: min=-5.4Å, max=1.7Å.

Explanation for different numbers of lines in original and converted list:

157 lines in systems other than gamma prime are not in the calculated list (all with J_low<=4).
In the alpha and gamma systems, there are five "double" lines with same quantum numbers and branch names but slightly different wavenumbers. The wavenumbers for these have been averaged for the converted list. There are 18 double lines with exactly the same parameters. The duplicates have been removed for these.
There are 137 gamma prime P11/Q11/R11 lines, which are not in calculated list and have been discarded.
290 gamma prime PQR 1/2 lines have been discarded, where only one component (C or D) is in the observed list.
There is a double entry for gamma prime 0-1 J_low=7 R1D.
For 21 lines in the gamma prime P1,Q1,P2,Q2,R2 lists, lambda doubling is not resolved in the calculated list. The observed wavenumber differences are very small for these lines (<=0.05 cm-1, >0 only for four lines), therefore they have been averaged.
P3,Q3,R3 lines in the gamma prime system are "double", because of resolved lambda doubling in the calculated list (+958 lines).
Totals: -629 +958

Observed lines in beta system

v-v	branch	J_low,min	J_low,max	J_low missing

0-0	P	4	99	94
1-1	P	2	100	66,88,91,92,93,95
2-2	P	2	90	8,10,12,14,76,81,83

0-0	Q	2	100	4
1-1	Q	1	100	2,4,96
2-2	Q	3	100	7,78,82,83,84,89,90,91

0-0	R	2	100
1-1	R	2	98	7
2-2	R	2	92	5,26,42,62,64,70,74,75,84

Observed lines in gamma prime system

observed lines in gamma prime system, P1,Q1,R1 branches (C/D pairs for each v-v and J_low), J_low values:

v_upp-v_low	branch	J_low,min	J_low,max	J_low missing C+D	J_low missing C	J_low missing D

0-0	P1	3	131		3,4,5,6,13,23	29,104,130,131
1-0	P1	2	107	98	21,77	15,63,103,107
0-1	P1	2	145	89,93,109,110,120,123	2,10,14,28,29,63,104, 126,131,135,138,139, 140,144,145	23,62,68,71,72,77,84,98, 99,111,125,129,130,136

0-0	Q1	1	141	2	1,12,119,138,139,140,141	4,7,118
1-0	Q1	1	120		1,104,105,112,114,118
0-1	Q1	2	144	94,138	11,104,107,114,125,127, 128,129,130,132,133,143,144	8,77,100,102,122,124

0-0	R1	1	122	96	5,6,19,64,87	1,2,76,83,84,90,94,100, 107,>=110
1-0	R1	1	135	126	28,43,78,82,95	116,119,121,128,131
0-1	R1	1	150	119,122,124,148	22,58,78,87,100,105,106, 108,111,114,115,130, 137,>=144	5,38,39,53,81,103,116, 117,121,125,128,141 (7 double)

observed lines in gamma prime system, P1,Q1,R1 branches, wavenumber differences between C and D lines:

observed lines in gamma prime system, P2,Q2,R2 branches (C/D pairs for each v-v and J_low), J_low values:

v_upp-v_low	branch	J_low,min	J_low,max	J_low missing C+D	J_low missing C	J_low missing D

0-0	P2	11	106	16		51, >=85
1-0	P2	3	88		3,4,6,15,34,35	5,16,82,88
0-1	P2	5	90	7,9,13,16,85	60,67	69,71,74,76, >=84

0-0	Q2	7	107	28		>=84
1-0	Q2	2	91		90	<=9, 35,74,91
0-1	Q2	4	85	8,19,75,82,84	78	72,76,79,80,83,85

0-0	R2	11	106	19,27,32,83,96,97		48,80, >=82
1-0	R2	4	90		18,36,81	4,5,6,8,22,25,37,41,50,61,75,89,90
0-1	R2	1	91	88	18,20,67,76	44,48,82,83, >=85

observed lines in gamma prime system, P2,Q2,R2 branches, wavenumber differences between C and D lines:

v_upp-v_low	branch	J_low,min	J_low,max	wn(C)-wn(D) = delta

0-0	P2	11	45	= 0
		46	84	< 0
1-0	P2	7	12	\|delta\| < 0.07
		13	42	> 0
		43	51	\|delta\| < 0.07
		52	87	< 0
0-1	P2	5	44	= 0 (39: -0.81)
		45	83	< 0

0-0	Q2	7	44	= 0
		45	83	< 0
1-0	Q2	10	37	> 0
		38	50	\|delta\| < 0.07
		51	89	< 0
0-1	Q2	4	43	= 0
		44	81	< 0

0-0	R2	11	45	= 0 (36: +0.19)
		46	81	< 0
1-0	R2	13	44	> 0
		59	88	< 0
0-1	R2	1	42	= 0
		43	84	< 0

observed lines in gamma prime system, P3,Q3,R3 branches:

v_upp-v_low	branch	J_low,min	J_low,max	J_low missing

0-0	P3	4	121	10,14,19,31,68
1-0	P3	7	95	63,89,93
0-1	P3	4	103	7,19,20,52,79,82,93,97

0-0	Q3	11	130
1-0	Q3	4	109	5,10,14,17,19
0-1	Q3	6	112	10,25,54,87,94,102,104,110

0-0	R3	11	139	21,25,30,65,77,118,119,123,124,134,138
1-0	R3	5	124	99,100,103,119,122
0-1	R3	3	127	5,14,20,70,94,95,96,98,100,113,123