Ab initio dipole moment surfaces (DMSs) of the ozone molecule are computed using the MRCI-SD method with AVQZ, AV5Z, and VQZ-F12 basis sets on a dense grid of about 1950 geometrical configurations. The analytical DMS representation used for the fit of ab initio points provides better behavior for large nuclear displacements than that of previous studies. Various DMS models were derived and tested. Vibration-rotation line intensities of 16O3 were calculated from these ab initio surfaces by the variational method using two different potential functions determined in our previous works. For the first time, a very good agreement of first principle calculations with the experiment was obtained for the line-by-line intensities in rotationally resolved ozone spectra in a large far- and mid-infrared range. This includes high overtone and combination bands up to ΔV = 6. A particular challenge was a correct description of the B-type bands (even ΔV3 values) that represented major difficulties for the previous ab initio investigations and for the empirical spectroscopic models. The major patterns of various B-type bands were correctly described without empirically adjusted dipole moment parameters. For the 10 μm range, which is of key importance for the atmospheric ozone retrievals, our ab initio intensity results are within the experimental error margins. The theoretical values for the strongest lines of the ν3 band lie in general between two successive versions of HITRAN (HIgh-resolution molecular TRANsmission) empirical database that corresponded to most extended available sets of observations. The overall qualitative agreement in a large wavenumber range for rotationally resolved cold and hot ozone bands up to about 6000 cm−1 is achieved here for the first time. These calculations reveal that several weak bands are yet missing from available spectroscopic databases.

1.
A.
Boynard
,
C.
Clerbaux
,
J.-F.
Coheur
,
S.
Hurtmans
,
S.
Turquety
, et al,
Atmos. Chem. Phys.
9
,
6255
(
2009
);
N.
Livesey
,
J.
Filipiak
,
L.
Froidevaux
,
W. G.
Read
,
A.
Lambert
, et al,
J. Geophys. Res.
113
,
D15SO2
, doi:10.1029/2007JD008805 (
2008
).
2.
C.
Clerbaux
,
J.
Drummond
,
J.-M.
Flaud
, and
J.
Orphal
, in
The Remote Sensing of Tropospheric Composition from Space
, edited by
J. P.
Burrows
,
U.
Platt
, and
P.
Borrell
(
Springer-Verlag
,
Heidelberg, New York
,
2011
), ISBN: 978-3-642-14790-6.
3.
K.
Fast
, et al,
Icarus
181
,
419
(
2006
).
4.
G.
Tinetti
,
T.
Encrenaz
, and
A.
Coustenis
,
Astron. Astrophys. Rev.
21
(
1
),
63
(
2013
);
S.
Beckwith
,
Astrophys. J.
684
,
1404
1415
(
2008
).
5.
L.
Rothman
,
A.
Barbe
,
D.
Benner
, et al,
J. Quant. Spectrosc. Radiat. Transfer
82
,
5
(
2003
).
6.
L.
Rothman
,
I.
Gordon
,
Y.
Babikov
,
A.
Barbe
,
D.
Benner
,
P.
Bernath
, et al,
J. Quant. Spectrosc. Radiat. Transfer
130
,
4
(
2013
).
7.
N.
Husson
 et al,
J. Quant. Spectrosc. Radiat. Transfer
52
,
425
(
1994
);
N.
Jacquinet-Husson
et al.,
J. Mol. Spectrosc.
327
,
31
(
2016
).
8.
Y.
Babikov
,
S. N.
Mikhailenko
,
A.
Barbe
, and
V. G.
Tyuterev
,
J. Quant. Spectrosc. Radiat. Transfer
145
,
169
(
2014
).
9.
A.
Barbe
,
S.
Mikhailenko
,
E.
Starikova
,
M.-R. D.
Backer
,
V. G.
Tyuterev
,
D.
Mondelain
,
S.
Kassi
,
A.
Campargue
,
C.
Janssen
,
S.
Tashkun
,
R.
Kochanov
,
R.
Gamache
, and
J.
Orphal
,
J. Quant. Spectrosc. Radiat. Transfer
130
,
172
(
2013
).
10.
B.
Picquet-Varrault
,
J.
Orphal
,
J. F.
Doussin
,
P.
Carlier
, and
J.-M.
Flaud
,
J. Phys. Chem. A
109
,
1008
(
2005
).
11.
J.
Orphal
, et al,
J. Mol. Spectrosc.
327
,
105
(
2016
).
12.
C.
Janssen
, et al,
J. Mol. Spectrosc.
326
,
48
(
2016
).
13.
M. A. H.
Smith
,
V.
Malathy Devi
,
D. C.
Benner
, and
C. P.
Rinsland
,
J. Geophys. Res.
106
,
9909
, doi:10.1029/2000JD900806 (
2001
).
14.
C.
Claveau
,
C.
Camy-Peyret
,
A.
Valentin
, and
J.-M.
Flaud
,
J. Mol. Spectrosc.
206
,
115
(
2001
).
15.
M. R.
De Backer
, et al,
J. Quant. Spectrosc. Radiat. Transfer
54
,
1009
(
1995
);
M. R.
De Backer
and
D.
Courtois
,
Appl. Phys. B: Lasers Opt.
64
,
607
(
1997
);
M.-R.
De Backer-Barilly
and
A.
Barbe
,
J. Mol. Spectrosc.
205
,
43
(
2001
).
[PubMed]
16.
G.
Wagner
,
M.
Birk
,
F.
Schreir
, and
J.-M.
Flaud
,
J. Geophys. Res.
107
,
D22
, doi:10.1029/2001JD000818 (
2002
).
17.
J.-M.
Flaud
,
G.
Wagner
,
M.
Birk
,
C.
Camy-Peyret
,
C.
Claveau
,
M.-R.
De Backer-Barilly
, et al, “
Ozone absorption around 10 μm
,”
J. Geophys. Res.: Atmos.
108
,
4269
, doi:10.1029/2002JD002755 (
2003
).
18.
X.
Thomas
,
P.
Von Der Heyden
,
M. R.
De Backer-Barilly
,
M. T.
Bourgeois
, and
A.
Barbe
,
J. Quant. Spectrosc. Radiat. Transfer
111
,
1080
(
2010
).
19.
M. A.
Smith
, et al,
J. Quant. Spectrosc. Radiat. Transfer
113
,
825
(
2012
).
20.
J. M.
Hoell
,
C. N.
Harward
,
C. H.
Bair
, and
B. S.
Williams
,
Opt. Eng.
21
,
213548
(
1982
);
H. M.
Pickett
,
E.
Cohen
, and
J. S.
Margolis
,
J. Mol. Spectrosc.
110
,
186
(
1985
);
H. M.
Pickett
,
D.
Peterson
, and
J. S.
Margolis
,
J. Geophys. Res.
97
,
20787
, doi:10.1029/92JD02039 (
1992
).
21.
P.
Garcia-Fernandez
,
I. B.
Bersuker
, and
J. E.
Boggs
,
Phys. Rev. Lett.
96
,
163005
(
2006
).
22.
Y. Q.
Gao
and
R.
Marcus
,
Science
293
,
259
(
2001
);
[PubMed]
R. A.
Marcus
,
Proc. Natl. Acad. Sci. U. S. A.
110
,
17703
(
2013
).
[PubMed]
23.
R.
Schinke
,
S. Y.
Grebenshchikov
,
M.
Ivanov
, and
P.
Fleurat-Lessard
,
Annu. Rev. Phys. Chem.
57
,
625
(
2006
).
24.
D.
Krankowsky
and
K.
Mauersberger
,
Science
274
,
1324
(
1996
).
25.
C.
Janssen
,
J.
Guenther
,
D.
Krankowsky
, and
K.
Mauersberger
,
Chem. Phys. Lett.
367
,
34
(
2003
).
26.
M. H.
Thiemens
and
J. E.
Heidenreich
,
Science
219
,
1073
(
1983
).
27.
H.
Hippler
,
R.
Rahn
, and
J.
Troe
,
J. Chem. Phys.
93
,
6560
(
1990
).
28.
K.
Luther
,
K.
Oum
, and
J.
Troe
,
Phys. Chem. Chem. Phys.
7
,
2764
(
2005
).
29.
C.
Janssen
and
R.
Marcus
,
Science
294
,
951
(
2001
).
30.
R.
Dawes
,
P.
Lolur
,
J.
Ma
, and
H.
Guo
,
J. Phys. Chem. A
135
,
081102
(
2011
).
31.
V. G.
Tyuterev
,
R.
Kochanov
,
A.
Campargue
,
S.
Kassi
,
D.
Mondelain
,
A.
Barbe
,
E.
Starikova
,
M.-R.
De Backer
,
P. G.
Szalay
, and
S.
Tashkun
,
Phys. Rev. Lett.
113
,
143002
(
2014
).
32.
T. R.
Rao
,
G.
Guillon
,
S.
Mahapatra
, and
P.
Honvault
,
J. Phys. Chem. Lett.
6
,
633
(
2015
).
33.
H.
Partridge
and
D. W.
Schwenke
,
J. Chem. Phys.
106
,
4618
(
1997
).
34.
D. W.
Schwenke
and
H.
Partridge
,
J. Chem. Phys.
113
(
16
),
6592
(
2000
).
35.
T.
Cours
,
P.
Rosmus
, and
V. G.
Tyuterev
,
Chem. Phys. Lett.
331
,
317
(
2000
).
36.
T.
Cours
,
P.
Rosmus
, and
V. G.
Tyuterev
,
J. Chem. Phys.
117
(
11
),
5192
(
2002
).
37.
V. G.
Tyuterev
,
L.
Regalia-Jarlot
,
D. W.
Schwenke
,
S. A.
Tashkun
, and
Yu. G.
Borkov
,
C. R. Phys.
5
,
189
(
2004
).
38.
S.
Yurchenko
,
M.
Carvajal
,
W.
Thiel
, and
P.
Jensen
,
J. Mol. Spectrosc.
239
,
71
(
2006
).
39.
S.
Carter
,
A. R.
Sharma
,
J. M.
Bowman
, and
P.
Rosmus
,
J. Chem. Phys.
131
,
224106
(
2009
).
40.
S.
Carter
,
A. R.
Sharma
, and
J. M.
Bowman
,
J. Chem. Phys.
137
,
154301
(
2012
).
41.
T.
Delahaye
,
A. V.
Nikitin
,
M.
Rey
,
P. G.
Szalay
, and
V. G.
Tyuterev
,
Chem. Phys. Lett.
639
,
275
(
2015
).
42.
M.
Rey
,
T.
Delahaye
,
A. V.
Nikitin
, and
V. G.
Tyuterev
,
Astron. Astrophys.
594
,
A47
(
2016
).
43.
A.
Owens
,
S. N.
Yurchenko
, and
A.
Yachmenev
,
J. Chem. Phys.
143
,
244317
(
2015
).
44.
M.
Rey
,
A. V.
Nikitin
,
Y.
Babikov
, and
V. G.
Tyuterev
,
J. Mol. Spectrosc.
327
,
138
(
2016
).
45.
P.
Cassam-Chenai
and
J.
Lievin
,
J. Chem. Phys.
136
,
174309
(
2012
).
46.
L.
Lodi
,
J.
Tennyson
, and
O. L.
Polyansky
,
J. Chem. Phys.
135
,
034113
(
2011
).
47.
A. V.
Nikitin
,
M.
Rey
, and
V. G.
Tyuterev
,
Chem. Phys. Lett.
565
,
5
(
2013
);
A. V.
Nikitin
,
M.
Rey
, and
V. G.
Tyuterev
,
J. Chem. Phys.
145
,
114309
(
2016
).
48.
X.
Huang
,
D. W.
Schwenke
,
S. A.
Tashkun
, et al,
J. Chem. Phys.
136
,
124311
(
2012
).
49.
X.
Huang
,
D. W.
Schwenke
, and
T. J.
Lee
,
J. Chem. Phys.
134
,
044321
(
2011
).
50.
S. N.
Yurchenko
,
J.
Tennyson
,
R. J.
Barber
, and
W.
Thiel
,
J. Mol. Spectrosc.
291
,
69
(
2013
).
51.
A. V.
Nikitin
,
A.
Rodina
,
B. M.
Krishna
,
M.
Rey
, and
V. G.
Tyuterev
,
J. Phys. Chem. A
120
,
8983
(
2016
).
52.
O.
Polyansky
,
K.
Bielska
,
M.
Ghysels
,
L.
Lodi
,
N. F.
Zobov
,
J. T.
Hodges
, and
J.
Tennyson
,
Phys. Rev. Lett.
114
,
243001
(
2015
).
53.
M.
Rey
,
A. V.
Nikitin
, and
V. G.
Tyuterev
,
J. Quant. Spectrosc. Radiat. Transfer
164
,
207
(
2015
).
54.
M.
Rey
,
A. V.
Nikitin
, and
V. G.
Tyuterev
,
J. Phys. Chem. A
119
,
4763
(
2015
).
55.
M.
Rey
,
A. V.
Nikitin
, and
V. G.
Tyuterev
,
J. Chem. Phys.
141
,
044316
(
2014
).
56.
R.
Warmbier
,
R.
Schneider
,
A. R.
Sharma
,
J.
Braams
,
J. M.
Bowman
, and
P. H.
Hauschildt
,
Astron. Astrophys.
495
,
655
(
2009
);
S.
Yurchenko
and
J.
Tennyson
,
Mon. Not. R. Astron. Soc.
440
(
2
),
1649
(
2014
).
57.
M.
Rey
,
A. V.
Nikitin
, and
V. G.
Tyuterev
,
Astrophys. J.
789
(
1
),
2
(
2014
).
58.
D.
Xie
,
H.
Guo
, and
K. A.
Peterson
,
J. Chem. Phys.
112
,
8378
(
2000
).
59.
M.
Diehr
,
P.
Rosmus
,
S.
Carter
, and
P.
Knowles
,
Mol. Phys.
102
,
2181
2189
(
2004
).
60.
S. Y.
Grebenshchikov
and
R. J.
Schinke
,
J. Chem. Phys.
131
,
181103
(
2009
).
61.
R.
Siebert
,
R.
Schinke
, and
M.
Bittererova
,
Phys. Chem. Chem. Phys.
3
,
1795
(
2001
).
62.
R.
Siebert
,
P.
Fleurat-Lessard
,
R.
Schinke
,
M.
Bittererova
, and
S. C. J.
Farantos
,
J. Chem. Phys.
116
,
9749
(
2002
).
63.
Z.-W.
Qu
,
H.
Zhu
, and
R.
Schinke
,
J. Chem. Phys.
123
,
204324
(
2005
).
64.
S.
Xantheas
,
G.
Atchity
,
S.
Elbert
, and
K. J.
Ruedenberg
,
J. Chem. Phys.
94
,
8054
(
1991
).
65.
K.
Yamashita
,
K.
Morokuma
,
F. L.
Quere
, and
C.
Leforestier
,
Chem. Phys. Lett.
191
,
515
(
1992
).
66.
A.
Banichevich
,
S. D.
Peyerimhoff
, and
F.
Grein
,
Chem. Phys.
178
,
155
(
1993
).
67.
P.
Borowski
,
M.
Fischer
,
P. A.
Malmquist
, and
B. O.
Roos
,
Chem. Phys. Lett.
237
,
195
(
1995
).
68.
T.
Müller
,
S. S.
Xantheas
,
H.
Dachsel
,
R. J.
Harrison
,
J.
Nieplocha
,
R.
Shepard
,
G. S.
Kedziora
, and
H.
Lischka
,
Chem. Phys. Lett.
293
,
72
(
1998
).
69.
R.
Hernandez-Lamoneda
,
M. R.
Salazar
, and
R. T.
Pack
,
Chem. Phys. Lett.
355
,
478
(
2002
).
70.
P.
Rosmus
,
P.
Palmieri
, and
R.
Schinke
,
J. Chem. Phys.
117
,
4871
(
2002
).
71.
R.
Schinke
and
P.
Fleurat-Lessard
,
J. Chem. Phys.
121
,
5789
(
2004
).
72.
P.
Fleurat-Lessard
,
S.
Grebenshchikov
,
R.
Siebert
,
R.
Schinke
, and
N. J.
Halberstadt
,
J. Chem. Phys.
118
,
610
(
2003
).
73.
F.
Holka
,
P.
Szalay
,
T.
Müller
, and
V. G.
Tyuterev
,
J. Phys. Chem. A
114
,
9927
(
2010
).
74.
M.
Lepers
,
B.
Honvault
, and
O.
Dulieu
,
J. Chem. Phys.
137
,
234305
(
2012
).
75.
S. Yu.
Grebenshchikov
,
R.
Schinke
,
Z. W.
Qu
, and
H.
Zhu
,
J. Chem. Phys.
124
,
204313
(
2006
).
76.
Z. W.
Qu
,
H.
Zhu
,
S. Yu.
Grebenshchikov
,
R.
Schinke
, and
S.
Farantos
,
J. Chem. Phys.
121
,
11731
(
2004
).
77.
S. Y.
Grebenshchikov
,
Z. W.
Qu
, and
R.
Schinke
,
Phys. Chem. Chem. Phys.
9
,
2044
(
2007
).
78.
V. G.
Tyuterev
,
R. V.
Kochanov
,
S. A.
Tashkun
,
F.
Holka
, and
P. G.
Szalay
,
J. Chem. Phys.
139
,
134307
(
2013
).
79.
R.
Dawes
,
P.
Lolur
,
A.
Li
,
B.
Jiang
, and
H.
Guo
,
J. Chem. Phys.
139
,
201103
(
2013
).
80.
P. G.
Szalay
,
T.
Müller
,
G.
Gidofalvi
,
H.
Lischka
, and
R.
Shepard
,
Chem. Rev.
112
,
108
(
2012
).
81.
P.
Szalay
,
F.
Holka
,
J.
Fremont
,
M.
Rey
,
K.
Peterson
, and
V. G.
Tyuterev
,
Phys. Chem. Chem. Phys.
13
,
3654
(
2011
);
[PubMed]
F.
Holka
 et al,
J. Chem. Phys.
134
,
094306
(
2011
).
[PubMed]
82.
H.-J.
Werner
,
P. J.
Knowles
,
G.
Knizia
,
F. R.
Manby
,
M.
Schütz
,
P.
Celani
, et al,
Wiley Interdiscip. Rev.: Comput. Mol. Sci.
2
,
242
253
(
2012
).
83.
E. R.
Davidson
,
The World of Quantum Chemistry
, edited by
R.
Daudel
and
B.
Pullman
(
Reidel
,
Dodrecht
,
1974
).
84.
T. H.
Dunning
, Jr.
,
J. Chem. Phys.
90
,
1007
(
1989
).
85.
S.
Carter
and
N. C.
Handy
,
J. Chem. Phys.
87
,
429
(
1987
);
S. E.
Choi
and
J. C.
Light
,
J. Chem. Phys.
97
,
7031
(
1992
);
J. R.
Henderson
,
C. R.
Le Sueur
, and
J.
Tennyson
,
Comput. Phys. Commun.
75
,
379
(
1993
);
M. J.
Bramley
and
T.
Carrington
,
J. Chem. Phys.
99
,
8519
(
1993
);
E.
Vilanove
and
M.
Jacon
,
Int. J. Quantum Chem.
62
,
199
(
1997
).
86.
D. W.
Schwenke
,
J. Phys. Chem.
100
,
2867
(
1996
);
D. W.
Schwenke
J. Phys. Chem.
100
,
884
(
1996
).
87.
V. G.
Tyuterev
,
S.
Tashkun
,
D. W.
Schwenke
,
P.
Jensen
,
T.
Cours
,
A.
Barbe
, and
M.
Jacon
,
Chem. Phys. Lett.
316
,
271
(
2000
);
V. G.
Tyuterev
,
S.
Tashkun
,
D. W.
Schwenke
, and
A.
Barbe
,
Proc. SPIE
5311
,
176
(
2004
).
88.
O. N.
Sulakshina
,
Yu.
Borkov
,
V. G.
Tyuterev
, and
A.
Barbe
,
J. Chem. Phys.
113
,
10572
(
2000
).
89.
J.-M.
Flaud
and
R.
Bacis
,
Spectrochim. Acta, Part A
54
,
3
(
1998
).
90.
J.-M.
Flaud
,
C.
Camy-Peyret
,
C. P.
Rinsland
,
M. A. H.
Smith
, and
V.
Malathy-Devi
,
Atlas of Ozone Spectral Parameters from Microwave to Medium Infrared
(
Academic Press
,
Boston
,
1990
).
91.
A. J. C.
Varandas
and
A. A. C. C.
Pais
,
Mol. Phys.
65
,
843
(
1988
).
92.
J. N.
Murrell
,
K.
Sobie
, and
A. J. C.
Varandas
,
Mol. Phys.
32
,
1359
(
1976
).
93.
S.
Carter
,
I. M.
Mills
,
J. N.
Murrell
, and
A. J. C.
Varandas
,
Mol. Phys.
45
,
1053
(
1982
).
94.
B.-Y.
Chang
,
C.-Y.
Kung
,
C.
Kittrell
,
C.-W.
Hsiao
,
B. R.
Johnson
,
S. G.
Glogover
, and
J. L.
Kinsey
,
J. Chem. Phys.
101
,
1914
(
1994
).
95.
V. G.
Tyuterev
,
S.
Tashkun
,
P.
Jensen
, and
A.
Barbe
,
J. Mol. Spectrosc.
198
,
57
(
1999
).
96.
V. G.
Tyuterev
,
R. V.
Kochanov
, and
S. A.
Tashkun
, in
Proceedings of XVII International Symposium HighRus-2012
(
Publishing House of IAO SB RAS
,
2012
), pp.
29
50
, ISBN: 978-5-94458-133-4.
97.
B.
Ruscic
 et al,
J. Chem. Phys.
108
,
9979
(
2004
);
B.
Ruscic
, et al
,
J. Chem. Phys.
110
,
6592
(
2006
);
B.
Ruscic
, unpublished results obtained from active thermochemical tables (ATcT) based on the Core (Argonne) Thermochemical Network version 1.110,
2010
.
98.
D.
Mondelain
,
A.
Campargue
,
S.
Kassi
et al.,
J. Quant. Spectrosc. Radiat. Transfer
116
,
49
66
(
2013
);
E.
Starikova
,
A.
Barbe
,
D.
Mondelain
 et al,
J. Quant. Spectrosc. Radiat. Transfer
119
,
104
113
(
2013
);
M.-R.
De Backer
,
A.
Barbe
,
E.
Starikova
 et al,
J. Quant. Spectrosc. Radiat. Transfer
127
,
24
36
(
2013
);
E.
Starikova
,
A.
Barbe
 et al,
J. Quant. Spectrosc. Radiat. Transfer
149
,
211
218
(
2014
);
A.
Campargue
,
S.
Kassi
,
D.
Mondelain
,
A.
Barbe
 et al,
J. Quant. Spectrosc. Radiat. Transfer
152
,
84
93
(
2015
);
E.
Starikova
,
D.
Mondelain
,
A.
Barbe
 et al,
J. Quant. Spectrosc. Radiat. Transfer
161
,
203
214
(
2015
).
99.
C.
Rinsland
,
J. M.
Flaud
,
A.
Perrin
,
M.
Birk
, et al,
J. Quant. Spectrosc. Radiat. Transfer
82
,
207
(
2003
).
100.
G.
Amat
,
H.
Nielsen
, and
G.
Tarrago
,
Rotation-Vibration of Polyatomic Molecules
(
Dekker
,
New York
,
1971
);
M.
Aliev
and
J. K. G.
Watson
,
Molecular Spectroscopy: Modern Research
  (
Academic Press
,
San Diego, CA
,
1985
), Vol. 3;
V. G.
Tyuterev
and
V.
Perevalov
,
Chem. Phys. Lett.
74
,
494
502
(
1980
).
101.
V. G.
Tyuterev
,
S.
Tashkun
, and
H.
Seghir
,
Proc. SPIE
5311
,
164
175
(
2004
).
102.
V. G.
Tyuterev
,
S.
Tashkun
,
M.
Rey
,
R.
Kochanov
, et al,
J. Phys. Chem. A
117
(
50
),
13779
13805
(
2013
).
103.
A.
Barbe
, et al,
J. Mol. Spectrosc.
242
,
156
(
2007
);
E.
Starikova
 et al,
Chem. Phys. Lett.
470
,
28
34
(
2009
);
E.
Starikova
, et al
,
J. Mol. Spectrosc.
255
,
144
156
(
2009
);
E.
Starikova
, et al
,
J. Mol. Spectrosc.
257
,
40
56
(
2009
);
A.
Barbe
 et al,
J. Mol. Spectrosc.
269
,
175
(
2011
);
M.-R.
De Backer-Barilly
 et al,
J. Mol. Spectrosc.
272
,
43
50
(
2012
).
104.
A.
Campargue
 et al,
J. Mol. Spectrosc.
240
,
1
(
2006
);
A.
Campargue
, et al
,
Phys. Chem. Chem. Phys.
10
(20),
2925
2946
(
2008
);
[PubMed]
A.
Campargue
, et al
,
J. Mol. Spectrosc.
255
,
75
87
(
2009
);
A.
Campargue
, et al
,
J. Quant. Spectrosc. Radiat. Transfer
113
,
840
849
(
2012
).
105.
M. E.
Kellman
,
Annu. Rev. Phys. Chem.
46
,
395
422
(
1995
);
[PubMed]
I. N.
Kozin
,
D. A.
Sadovskii
, and
B. I.
Zhilinskii
,
Spectrochim. Acta, Part A
61
,
2867
(
2004
);
F.
Mauguiere
,
V. G.
Tyuterev
, and
S. C.
Farantos
,
Chem. Phys. Lett.
494
,
163
(
2010
);
F.
Mauguiere
, et al,
J. Phys. Chem. A
114
,
9836
(
2010
).
[PubMed]
106.
V. G.
Tyuterev
and
S.
Tashkun
, “
Contact transformations of molecular Hamiltonians: Convergence and assignment issues
” (unpublished).
107.
A.
Barbe
, et al,
J. Mol. Spectrosc.
162
,
335
(
1993
);
A.
Barbe
, and
J.-J.
Plateaux
,
J. Quant. Spectrosc. Radiat. Transfer
55
,
449
(
1996
);
S.
Mikhailenko
, et al,
J. Mol. Spectrosc.
180
,
227
(
1996
);
[PubMed]
A.
Barbe
, et al,
J. Mol. Spectrosc.
175
,
296
(
1996
).
108.
A.
Barbe
, et al,
J. Mol. Spectrosc.
182
,
333
(
1997
);
[PubMed]
A.
Barbe
,et al
,
J. Mol. Spectrosc.
184
,
448
(
1997
);
A.
Barbe
and
C.
Chichery
,
J. Mol. Spectrosc.
192
,
102
(
1998
);
[PubMed]
A.
Barbe
, et al,
Spectrochim. Acta, Part A
54
,
1935
(
1998
);
A.
Barbe
, et al,
J. Mol. Spectrosc.
187
,
70
(
1998
);
[PubMed]
A.
Barbe
, et al
,
J. Phys. B
31
,
2559
(
1998
).
109.
A.
Barbe
, et al,
J. Mol. Spectrosc.
185
,
408
(
1997
);
[PubMed]
A.
Barbe
,et al
,
J. Quant. Spectrosc. Radiat. Transfer
59
,
185
(
1998
);
A.
Chichery
, et al,
Mol. Phys.
94
,
751
(
1998
);
S. N.
Mikhailenko
, et al,
J. Mol. Spectrosc.
196
,
93
(
1999
);
[PubMed]
M. R.
De Backer-Barilly
, et al,
Mol. Phys.
102
,
1707
(
2004
);
A.
Barbe
, et al,
J. Quant. Spectrosc. Radiat. Transfer
149
,
51
63
(
2014
).
110.
S.
Mikhailenko
,
A.
Barbe
,
V. G.
Tyuterev
, and
A.
Chichery
,
Atmos. Oceanic Opt.
12
,
771
785
(
1999
).
111.
C.
Camy-Peyret
,
J. M.
Flaud
, et al,
J. Mol. Spectrosc.
118
,
345
354
(
1986
);
A.
Perrin
,
J. M.
Flaud
, et al,
J. Mol. Spectrosc.
200
,
248
252
(
2000
);
[PubMed]
B.
Tuzson
and
C.
Janssen
,
Isot. Environ. Health Stud.
42
,
67
75
(
2006
).
112.
G.
Rixon
,
M.
Dubernet
, et al,
AIP Conf. Proc.
1344
,
107
115
(
2011
);
M.
Dubernet-Tuckey
, et al,
J. Phys. B: At., Mol. Opt. Phys.
49
,
074003
(
2016
).
113.
J. M.
Colmont
,
B.
Bakri
,
J.
Demaison
,
H.
Mader
, et al,
J. Mol. Spectrosc.
233
,
293
296
(
2005
).
114.
H.
Fischer
,
M.
Birk
,
C.
Blom
,
B.
Carli
, et al,
Atmos. Chem. Phys.
8
,
2151
2188
(
2008
).
115.
M.
Birk
,
G.
Wagner
, and
J.-M.
Flaud
,
J. Mol. Spectrosc.
163
,
245
261
(
1994
);
M.
Birk
,
D.
Hausamann
,
G.
Wagner
, and
J. W.
Johns
,
Appl. Opt.
35
,
2971
2985
(
1996
).
[PubMed]
116.
J. M.
Flaud
,
C.
Camy-Peyret
,
A.
Barbe
 et al,
J. Mol. Spectrosc.
80
,
185
199
(
1980
).
117.
C.
Rinsland
,
M. A.
Smith
,
J. M.
Flaud
, and
C.
Camy-Peyret
,
J. Mol. Spectrosc.
130
,
204
212
(
1988
).
118.
A.
Barbe
,
J. J.
Plateaux
, et al,
J. Quant. Spectrosc. Radiat. Transfer
52
,
341
355
(
1994
).
119.
S.
Mikhailenko
,
Atmos. Oceanic Opt.
28
(
N7
),
587
606
(
2015
).
120.
J.-M.
Flaud
,
A.
Barbe
,
C.
Camy-Peyret
, and
J.-J.
Plateaux
,
J. Mol. Spectrosc.
177
,
34
(
1996
).
121.
A.
Perrin
,
A. M.
Vasserot
,
J. M.
Flaud
,
C.
Camy-Peyret
,
V.
Malathy Devi
,
M. A. H.
Smith
, et al,
J. Mol. Spectrosc.
149
,
519
529
(
1991
).
122.
D.
Lapierre
,
A.
Alijah
,
R.
Kochanov
,
V.
Kokoouline
, and
V. G.
Tyuterev
,
Phys. Rev. A
94
,
042514
(
2016
).

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