We have carried out the direct deperturbation analysis of about 780 rovibronic term values of the strongly spin-orbit (SO) coupled A1Σ+ and b3Π states of the 7Li133Cs molecule recorded by polarization labelling spectroscopy technique. The explicit A1Σ+ ∼ b3ΠΩ=0,1,2 coupled-channels treatment allowed us to reproduce 95% experimental term values with a standard deviation of 0.05 cm−1 which is close to the accuracy of the present experiment. The initial potential energy curves (PECs) of the mutually perturbed states and SO matrix elements were ab initio evaluated in the basis of the spin-averaged wave functions. The empirically refined PECs and SO functions, along with the theoretical transition dipole moments, were used to predict energy and radiative properties of the A ∼ b complex for low J levels of both 7Li133Cs and 6Li133Cs isotopologues. The reasonable candidates for the stimulated Raman transitions between initial Feshbach resonance states, the mixed levels of the A ∼ b complex, and absolute ground X1Σ+ (v = 0 and J = 0) state were identified.

1.
P.
Burns
,
A. D.
Wilkins
,
A. P.
Hickman
, and
J.
Huennekens
,
J. Chem. Phys.
122
,
074306
(
2005
).
2.
W. C.
Stwalley
,
Eur. Phys. J. D
31
,
221
225
(
2004
).
3.
M.
Tamanis
,
R.
Ferber
,
A.
Zaitsevskii
,
E. A.
Pazyuk
,
A. V.
Stolyarov
,
H.
Chen
,
J.
Qi
,
H.
Wang
, and
W. C.
Stwalley
,
J. Chem. Phys.
117
,
7980
7988
(
2002
).
4.
O.
Docenko
,
M.
Tamanis
,
R.
Ferber
,
E. A.
Pazyuk
,
A.
Zaitsevskii
,
A. V.
Stolyarov
,
A.
Pashov
,
H.
Knöckel
, and
E.
Tiemann
,
Phys. Rev. A
75
,
042503
(
2007
).
5.
J.
Zaharova
,
M.
Tamanis
,
R.
Ferber
,
A. N.
Drozdova
,
E. A.
Pazyuk
, and
A. V.
Stolyarov
,
Phys. Rev. A
79
,
012508
(
2009
).
6.
A.
Kruzins
,
I.
Klincare
,
O.
Nikolayeva
,
M.
Tamanis
,
R.
Ferber
,
E. A.
Pazyuk
, and
A. V.
Stolyarov
,
Phys. Rev. A
81
,
042509
(
2010
).
7.
A.
Kruzins
,
I.
Klincare
,
O.
Nikolayeva
,
M.
Tamanis
,
R.
Ferber
,
E. A.
Pazyuk
, and
A. V.
Stolyarov
,
J. Chem. Phys.
139
,
244301
(
2013
).
8.
T.
Bergeman
,
C. E.
Fellows
,
R. F.
Gutterres
, and
C.
Amiot
,
Phys. Rev. A
67
,
050501
(
2003
).
9.
O.
Docenko
,
M.
Tamanis
,
R.
Ferber
,
T.
Bergeman
,
S.
Kotochigova
,
A. V.
Stolyarov
,
A.
de Faria Nogueira
, and
C. E.
Fellows
,
Phys. Rev. A
81
,
042511
(
2010
).
10.
A.
Kruzins
,
K.
Alps
,
O.
Docenko
,
I.
Klincare
,
M.
Tamanis
,
R.
Ferber
,
E. A.
Pazyuk
, and
A. V.
Stolyarov
,
J. Chem. Phys.
141
,
184309
(
2014
).
11.
H.
Salami
,
T.
Bergeman
,
B.
Beser
,
J.
Bai
,
E.
Ahmed
,
S.
Kotochigova
,
A. M.
Lyyra
,
J.
Huennekens
,
C.
Lisdat
,
A. V.
Stolyarov
,
O.
Dulieu
,
P.
Crozet
, and
A. J.
Ross
,
Phys. Rev. A
80
,
022515
(
2009
).
12.
A. N.
Drozdova
,
A. V.
Stolyarov
,
M.
Tamanis
,
R.
Ferber
,
P.
Crozet
, and
A. J.
Ross
,
Phys. Rev. A
88
,
022504
(
2013
).
13.
J.
Bai
,
E. H.
Ahmed
,
B.
Beser
,
Y.
Guan
,
S.
Kotochigova
,
A. M.
Lyyra
,
S.
Ashman
,
C. M.
Wolfe
,
J.
Huennekens
,
F.
Xie
,
D.
Li
,
L.
Li
,
M.
Tamanis
,
R.
Ferber
,
A.
Drozdova
,
E. A.
Pazyuk
,
A. V.
Stolyarov
,
J. G.
Danzl
,
H. C.
Nägerl
,
N.
Bouloufa
,
O.
Dulieu
,
C.
Amiot
,
H.
Salami
, and
T.
Bergeman
,
Phys. Rev. A
83
,
032514
(
2011
).
14.
A.
Grochola
,
J.
Szczepkowski
,
W.
Jastrzebski
, and
P.
Kowalczyk
,
J. Quant. Spectrosc. Radiat. Transfer
145
,
147
152
(
2014
).
15.
R. W.
Field
and
H.
Lefebvre-Brion
,
The Spectra and Dynamics of Diatomic Molecules
(
Elsevier
,
Amsterdam
,
2004
).
16.
J. M.
Brown
,
E. A.
Colbourn
,
J. K. G.
Watson
, and
R. D.
Wayne
,
J. Mol. Spectrosc.
74
,
294
318
(
1979
).
17.
J. M.
Brown
and
A. J.
Merer
,
J. Mol. Spectrosc.
74
,
488
494
(
1979
).
18.
E. G.
Lee
,
J. Y.
Seto
,
T.
Hirao
,
P. F.
Bernath
, and
R. J.
Le Roy
,
J. Mol. Spectrosc.
194
,
197
202
(
1999
).
19.
K.
Patkowski
,
V.
Spirko
, and
K.
Szalewicz
,
Science
326
,
1382
1384
(
2009
).
20.
E. H.
Ahmed
and
A.
Marjatta Lyyra
,
J. Mod. Opt.
61
,
7
12
(
2014
).
21.
J.
Deiglmayr
,
A.
Grochola
,
M.
Repp
,
K.
Mörtlbauer
,
C.
Glück
,
J.
Lange
,
O.
Dulieu
,
R.
Wester
, and
M.
Weidemüller
,
Phys. Rev. Lett.
101
,
133004
(
2008
).
22.
J.
Deiglmayr
,
P.
Pellegrini
,
A.
Grochola
,
M.
Repp
,
R.
Côté
,
O.
Dulieu
,
R.
Wester
, and
M.
Weidemüller
,
New J. Phys.
11
,
055034
(
2009
).
23.
A.
Grochola
,
J.
Szczepkowski
,
W.
Jastrzebski
, and
P.
Kowalczyk
,
Chem. Phys. Lett.
535
,
17
20
(
2012
).
24.
A.
Grochola
,
J.
Szczepkowski
,
W.
Jastrzebski
, and
P.
Kowalczyk
,
J. Chem. Phys.
135
,
044318
(
2011
).
25.
A.
Stein
,
A.
Pashov
,
P.
Staanum
,
H.
Knöckel
, and
E.
Tiemann
,
Eur. Phys. J. D
48
,
177
185
(
2008
).
26.
P.
Staanum
,
A.
Pashov
,
H.
Knöckel
, and
E.
Tiemann
,
Phys. Rev. A
75
,
042513
(
2007
).
27.
M.
Korek
,
A. R.
Allouche
,
K.
Fakhreddine
, and
A.
Chaalam
,
Can. J. Phys.
78
,
977
988
(
2000
).
28.
M.
Elkork
,
D.
Houalla
, and
M.
Korek
,
Can. J. Phys.
87
,
1079
1088
(
2009
).
29.
N.
Mabrouk
,
H.
Berriche
,
H.
Ben Ouada
, and
F. X.
Gadea
,
J. Phys. Chem. A
114
,
6657
6668
(
2010
).
30.
N.
Khelifi
,
R.
Dardouri
, and
O. M.
Al-Dossary
,
J. Appl. Spectrosc.
78
,
11
24
(
2011
).
31.
R.
Dardouri
,
K.
Issa
,
B.
Ouija
, and
F. X.
Gadea
,
Int. J. Quantum Chem.
112
,
2724
2734
(
2012
).
32.
H.-J.
Werner
,
P. J.
Knowles
,
R.
Lindh
,
F. R.
Manby
,
M.
Schutz
,
P.
Celani
,
T.
Korona
,
G.
Rauhut
,
R. D.
Amos
,
A.
Bernhardsson
,
A.
Berning
,
D. L.
Cooper
,
M. J. O.
Deegan
,
A. J.
Dobbyn
,
F.
Eckert
,
C.
Hampel
,
G.
Hetzer
,
A. W.
Lloyd
,
S. J.
McNicholas
,
W.
Meyer
,
M. E.
Mura
,
A.
Nicklass
,
P.
Palmieri
,
U.
Schumann
,
H.
Stoll
,
A. J.
Stone
,
R.
Tarroni
, and
T.
Thosteinsson
, molpro, version 2010.1, a package of ab initio programs, 2010, see http://www.molpro.net.
33.
J. T.
Kim
,
Y.
Lee
, and
A. V.
Stolyarov
,
J. Mol. Spectrosc.
256
,
57
67
(
2009
).
34.
R. B.
Ross
,
J. M.
Powers
,
T.
Atashroo
,
W. C.
Ermler
,
L. A.
LaJohn
, and
P. A.
Christiansen
,
J. Chem. Phys.
93
,
6654
6670
(
1990
).
35.
A.
Zaitsevskii
,
E. A.
Pazyuk
,
A. V.
Stolyarov
,
O.
Docenko
,
I.
Klincare
,
O.
Nikolyaeva
,
M.
Auzinsh
,
M.
Tamanis
, and
R.
Ferber
,
Phys. Rev. A
71
,
012510
(
2005
).
36.
O.
Roos
,
V.
Veryazov
, and
P.-O.
Widmark
,
Theor. Chem. Acc.
111
,
345
351
(
2004
).
37.
H.
Partridgea
and
C. W.
Bauschlicher
, Jr.
,
Mol. Phys.
96
,
705
710
(
1999
).
38.
H.-J.
Werner
and
P. J.
Knowles
,
J. Chem. Phys.
82
,
5053
5063
(
1985
).
39.
P. J.
Knowles
and
H.-J.
Werner
,
Theor. Chim. Acta
84
,
95
103
(
1992
).
40.
W.
Müller
,
J.
Flesch
, and
W.
Meyer
,
J. Chem. Phys.
80
,
3297
3310
(
1984
).
41.
I. S.
Lim
,
W. C.
Lee
,
Y. S.
Lee
, and
G.-H.
Jeung
,
J. Chem. Phys.
124
,
234307
(
2006
).
42.
See http://physics.nist.gov/ for NIST atomic data base.
43.
D. A.
Steck
, “
Cesium D line data
,” Revision 2.1.4, 23 December 2010, http://steck.us/alkalidata.
44.
I. S.
Lim
,
P.
Schwerdtfeger
,
B.
Metz
, and
H.
Stoll
,
J. Chem. Phys.
122
,
104103
(
2005
).
45.
L. F.
Pacios
and
P. A.
Christiansen
,
J. Chem. Phys.
82
,
2664
2671
(
1985
).
46.
A.
Zaitsevskii
,
S. O.
Adamson
,
E. A.
Pazyuk
,
A. V.
Stolyarov
,
O.
Nikolayeva
,
O.
Docenko
,
I.
Klincare
,
M.
Auzinsh
,
M.
Tamanis
,
R.
Ferber
, and
R.
Cimiraglia
,
Phys. Rev. A
63
,
052504
(
2001
).
47.
R. J.
LeRoy
, “
The betaFIT 2.1. A computer program to fit pointwise potentials to selected analytic functions
,” University of Waterloo Chemical Physics Research Report CP-666
2013
).
48.
W. H.
Press
,
S. A.
Teukolsky
,
W. T.
Vetterling
, and
B. P.
Flannery
,
Numerical Recipes in Fortran 77
(
Cambridge University Press
,
Cambridge, UK
,
1999
).
49.
J.
More
,
B.
Garbow
, and
K.
Hillstrom
, MINPACK software for solving nonlinear equations and nonlinear least squares problems, University of Chicago, Argonne National Laboratory (
1999
), http://www.netlib.org/minpack.
50.
V. V.
Meshkov
,
A. V.
Stolyarov
, and
R. J.
Le Roy
,
Phys. Rev. A
78
,
052510
(
2008
).
51.
D. G.
Truhlar
,
J. Comput. Phys.
10
,
123
132
(
1972
).
52.
R. B.
Lenoucq
,
D. C.
Sorensen
, and
C.
Yang
,
ARPACK Users’ Guide: Solution of Large Scale Eigenvalue Problems with Implicitly Restarted Arnoldi Methods
(
Society for Industrial and Applied Mathematics
,
Philadelphia, PA
,
1997
), p.
140
.
53.
See supplementary material at http://dx.doi.org/10.1063/1.4922610 for data files associated with this paper.
54.
A. V.
Stolyarov
and
V. I.
Pupyshev
,
Phys. Rev. A
49
,
1693
1697
(
1994
).
55.
E. A.
Pazyuk
,
A. V.
Stolyarov
, and
V. I.
Pupyshev
,
Chem. Phys. Lett.
228
,
219
224
(
1994
).
56.
E. A.
Pazyuk
,
V. I.
Pupyshev
,
A. V.
Stolyarov
, and
T.
Kiyoshima
,
J. Chem. Phys.
116
,
6618
6627
(
2002
).

Supplementary Material

You do not currently have access to this content.