1025

Potential curves and rovibrational energies for electronic states of the molecular ion KCs+
M. Korek, A.R. Allouche, and S.N. Abdul Al

Abstract: The KCs+ molecular ion potential curves are investigated over a wide range of internuclear distance for electronic states described in a 2 (+) representation (neglecting the spin-orbit effect) as well as in an (+) representation (including the spin-orbit effect). This calculation has been done in a one active electron approach by using an ab initio method based on non-empirical pseudopotentials with core-valence effect taken into account through parameterized -dependent polarization potentials. Gaussian basis sets have been used for both atoms, and spin-orbit effects have been taken into account through a semiempirical spin-orbit pseudopotential. The canonical functions approach is used to do a rovibrational study by calculating the eigenvalues Ev , the rotational constant Bv , the centrifugal distortion constants Dv (up to 106 vibrational levels), and the spectroscopic constants are deduced for six bound states. The permanent and transition dipole moment functions have been derived for transitions between the bound states 2 + and 2 as well as the oscillator strengths for the transitions v = 0, 10, 20, and v = 0, 1, 2, . . ., 6. To the best of our knowledge neither theoretical nor experimental data are available in the literature for the molecular ion KCs+ . Extensive tables of Ev , Bv , Dv , and the energy values versus internuclear distance are displayed at the following address: http://hplasim2.univ-lyon1.fr/allouche/kcsplus.html. PACS Nos.: 33.15Dj, 33.20wr Rsum : Nous tudions les courbes de potentiel pour lion molculaire KCs+ sur une large gamme de distances internuclaires pour des tats lectroniques dcrits par une reprsentation 2 (+) (ngligeant les effets spin-orbite), ainsi que par une reprsentation (+) (incluant les effets spin-orbite). Nous effectuons les calculs avec un lectron actif, utilisant une mthode complte base sur des pseudo-potentiels non empiriques et qui tiennent compte de la polarisation coeur-valence via des potentiels de polarisation dpendant de . Nous utilisons des ensembles de bases gaussiennes pour les deux atomes et les effets spin-orbite sont pris en compte par un pseudo-potentiel spin-orbite semi empirique. Utilisant lapproche des fonctions canoniques, nous faisons une tude rovibrationnelle en calculant les nergies propres Ev , les constantes rotationnelles Bv , les constantes de distorsion centrifuge Dv (jusqu 106 niveaux vibrationnels) et nous dduisons les constantes spectroscopiques pour six tats lis. Nous obtenons les fonctions de diples permanents et de transition pour les transitions entre

Received 17 September 2001. Accepted 5 March 2002. Published on the NRC Research Press Web site at http://cjp.nrc.ca/ on 27 August 2002. M. Korek1 and S.N. Abdul Al. Faculty of Science, Beirut Arab University, P.O. Box 115020 Riad El Solh, Beirut 1107 2809, Lebanon. A.R. Allouche. Laboratoire de Spectromtrie Ionique et Molculaire, Universit Claude Bernard Lyon I, Batiment Alfred Kastler, 43 Bld du 11 Novembre 1918, 69622 Villeurbanne CEDEX, France.
1

Corresponding author (e-mail: fkorek@cyberia.net.lb).

DOI: 10.1139/P02-045 2002 NRC Canada

Can. J. Phys. 80: 10251035 (2002)

1026

Can. J. Phys. Vol. 80, 2002 les tats lis 2 + et 2 , ainsi que les forces doscillateur pour les transitions v = 0, 10, 20 et v = 0, 1, 2, . . ., 6. Au meilleur de notre connaissance, il ny a pas de rsultats exprimentaux ou thoriques dans la littrature sur lion molculaire KCs+ . Nous proposons des tables compltes des valeurs de Ev , Bv et Dv et des valeurs dnergie en fonction de la distance internuclaire ladresse http ://hplasim2.univ-lyon1.fr/allouche/kcsplus.html. [Traduit par la Rdaction]

1. Introduction
Interest in alkali dimers is closely related to developments in ultra-cold alkali dimers atom trapping, which are at the root of photoassociation spectroscopy. For such compounds, theoretical prediction of a sufcient accuracy to be useful to experimentalists can be performed. Currently involved in such investigations, we recently calculated electronic structure of the molecules RbCs [1], NaRb, LiRb [2], NaCs, LiCs, and KCs [3], and the molecular ion RbCs+ [4]; our full results are available on a web site. We present in this work the results of a theoretical investigation of the low-lying electronic states of the molecular ion KCs+ with the calculation of the eigenvalues Ev , the rotational constants Bv , and the centrifugal distortion constants Dv for the bound states (1)2 + , (2)2 + , (3)2 + , (1)2 , (1) = 1/2, and (1) = 3/2 as well as the dipole moment functions and the oscillator strengths for transitions between the two states 2 + and 2 [511]. No comparison of these values with other results is presented because they are given here for the rst time.

2. Summary of the theoretical calculation

2.1. Ab initio calculations The low-lying electronic states of the molecular ion KCs+ have been studied through a one active electron approach. Nonempirical one-electron pseudopotentials (relativistic) are used for the K and Cs atoms. Core valence effects have been taken into account through -dependent core polarization potentials parameterized for each atom. Values of cut-off parameters involved in the polarization potentials rM ( = 0, 1, 2) were taken from literature for K [12,13] and have been recalculated for Cs. Note that 2 3 we assumed rM = rM for the two atoms as done previously for Na [14] and K [12]. These parameters are given in Table 1. Gaussian basis sets (from the literature) (7s 5p 7d / 6s 5p 5d) [14,15] and (7s 6p 5d / 8s 7p 6d) [15] have been used for the atoms K and Cs, respectively. From the electronic wave functions e and e the dipole and transition dipole moments have been calculated for each value of the internuclear distance r using Re (r) = e e de and Ree (r) = e e de . Spin-orbit effects have been taken into account through a semi-empirical spin-orbit pseudopotential. A corecore interaction, more elaborate then the usual approximation 1/r, was taken into account. 2.2. Rovibrational calculations The radial Schrdinger equation describing the relative motion of the nuclei for the potential determined from the ab initio calculation is solved using the canonical functions method [511] previously used (not repeated here) for the molecular ion RbCs+ [4]. Using this method the vibrational energies Ev , the corresponding rotational constants Bv , and the centrifugal distortion constants Dv are calculated. From the calculated vibrational wave functions, the dipole oscillator strengths as well as the vibrational matrix elements of the electric dipole moment are calculated. The dipole oscillator strength for a transition is given (in atomic units) as [16] fvv = 2 (Re )v v 3 Evv (1)
2002 NRC Canada

Korek et al. Table 1. Parameters for the polarization potential of the atoms K and Cs. Atom K* Cs (a0 3 ) 5.354 15.117
0 rk (a0 ) 1 rk (a0 ) 2 rk (a0 )

1027

2.0668 2.6910

1.9060 1.8505

1.960 2.807

*References 12 and 13.

Table 2. Molecular states correlated to the lowest dissociation limits. Dissociation limits K + Cs K(4s 2 S1/2 ) + Cs+ (1 S0 ) K+ (1 S0 ) + Cs(6s 2 S1/2 ) K(4p 2 P1/2,3/2 ) + Cs+ (1 S0 ) K+ (1 S0 ) + Cs(6p 2 P1/2,3/2 ) K+ (1 S0 ) + Cs(5d 2 D3/2,5/2 ) K(5s 2 S1/2 ) + Cs+ (1 S0 ) K(3d 2 D3/2,5/2 ) + Cs+ (1 S0 ) K+ (1 S0 ) + Cs(7s 2 S1/2 ) K(5p 2 P1/2,3/2 ) + Cs+ (1 S0 ) K+ (1 S0 ) + Cs(7p 2 P1/2,3/2 ) K(4d 2 D3/2,5/2 ) + Cs(1 S0 ) K+ (1 S0 ) + Cs(6d 2 D3/2,5/2 ) K(6s 2 S1/2 ) + Cs+ (1 S0 ) K+ (1 S0 ) + Cs(8s 2 S1/2 ) Molecular states (1)2 (2)2 (3)2 (4)2 (5)2 (6)2 (7)2
+ + + +

, (1)2 , (2)2 + , (3)2 ,(1)2

+ +

, (4)2 , (2)2

(8)2 + (9)2 + , (5)2 (10)2 + , (6)2 (11)2 + , (7)2 ,(3)2 (12)2 (13)2 (14)2
+ + +

, (8)2 , (4)2

(1) (2) (3) (5) (7) (1) (9) (10) (6) (12) (13) (15) (17) (10) (19) (12) (21) (22)

= 1/2 = 1/2 = 1/2, (4) = 1/2, (1) = 3/2 = 1/2, (6) = 1/2, (2) = 3/2 = 1/2, (8) = 1/2, (3) = 3/2, (4) = 3/2, = 5/2 = 1/2 = 1/2, (11) = 1/2, (5) = 3/2, = 3/2, (2) = 5/2 = 1/2 = 1/2, (14) = 1/2, (7) = 3/2 = 1/2, (16) = 1/2, (8) = 3/2 = 1/2, (18) = 1/2, (9) = 3/2, = 3/2, (3) = 5/2 = 1/2, (20) = 1/2, (11) = 3/2, = 3/2, (4) = 5/2 = 1/2 = 1/2

where (Re )v is the vibrational matrix element of the electric dipole moment v (Re )v = v v Re (r) v dr (2)

in which v (r) and v (r) are the vibrational wave functions of the two considered vibrational states, and the origin of coordinates of the considered ion is taken at the position of the atom K. In the present calculation Re (r) and Ree (r) are represented, respectively, by the polynomial expansions Re (r) =
i=0

Ai (r/re )i Ai (r/re )i
i=0

(3a) (3b)

Ree (r) =

where re is the equilibrium internuclear distance of the considered electronic state, re is the larger internuclear distance of the two considered electronic states and the Ai coefcients are determined from a least-squares t of the calculated values.

3. Results
The potential energy curves are obtained for numerous molecular states of the molecular ion KCs+ in the range of internuclear distance 3.0a0 r 30.0a0 and dissociating into the 14 lowest atomic
2002 NRC Canada

1028 Fig. 1. Potential energy curves for the 14 lowest 2

0.12

Can. J. Phys. Vol. 80, 2002

+

states of KCs+ .

0.08

0.04

0 E(a.u)

-0.04

-0.08

-0.12

-0.16

-0.2 5 10 15 20 25 R [Bohr] 30

Fig. 2. Potential energy curves for the eight lowest 2

0.12

states of KCs+ .

0.08

0.04

0 E(a.u)

-0.04

-0.08

-0.12

-0.16

-0.2 5 10 15 20 25 R [Bohr] 30

limits, i.e., up to K+ (1 S0 ) + Cs(8s2 S1/2 ) (Table 2). These calculations have been performed without and with spin-orbit effects. To display the long-range avoided crossings the curves are drawn out to r = 30.0a0 . 3.1. Spin-orbit effect neglected Twenty-six states labeled by the following representation 2 (+) have been determined. These states dissociate into the 14 asymptotes considered, i.e., 14 states 2 + , 8 states 2 , and 8 states 2 . The adiabatic potential curves are displayed in Figs. 13 for the symmetries , , and , respectively. Among the states investigated here, seven are found to be bound states ((1)2 + , (2)2 + , (3)2 + , (6)2 + , (7)2 + , (1)2 , and (4)2 ). The remaining states are repulsive. Avoided crossings are observed among the 2 + and 2 states, respectively, in the ranges 6a0 15a0 and 5a0 10a0 .
2002 NRC Canada

Korek et al. Fig. 3. Potential energy curves for the four lowest 2
0.12

1029 states of KCs+ .

0.08

0.04

0 E(a.u)

-0.04

-0.08

-0.12

-0.16

-0.2 5 10 15 20 25 R [Bohr] 30

Fig. 4. Potential energy curves for the 22 lowest

0.12

= 1/2 states of KCs+ .

0.08

0.04

0 E(a.u)

-0.04

-0.08

-0.12

-0.16

-0.2 5 10 15 20 25 R [Bohr] 30

3.2. Spin-orbit effects included Thirty-eight states labeled by the following representation ( is the absolute value of the projection of the total angular momentum on the internuclear distance) dissociate into the asymptotes considered, i.e., 22 states = 1/2, 12 states = 3/2, and 4 states = 5/2. The potential energy curves of these states are displayed in Figs. 46, respectively. Among these states ve are attractive ((1) = 1/2, (9) = 1/2, (10) = 1/2, (11) = 1/2, and (1) = 3/2), and the other states are repulsive. The symmetries = 1/2 and = 3/2 display a certain number of avoided crossings at higher and lower energy curves and at small and large values of r. The spectroscopic constants e , Be , and De of these states together with the equilibrium internuclear distance re and the electronic transition energy Te are displayed in Table 3.
2002 NRC Canada

1030 Fig. 5. Potential energy curves for the 12 lowest

0.12

Can. J. Phys. Vol. 80, 2002 = 3/2 states of KCs+ .

0.08

0.04

0 E(a.u)

-0.04

-0.08

-0.12

-0.16

-0.2 5 10 15 20 25 R [Bohr] 30

Fig. 6. Potential energy curves for the four lowest

0.12

= 5/2 states of KCs+ .

0.08

0.04

0 E(a.u)

-0.04

-0.08

-0.12

-0.16

-0.2 5 10 15 20 25 R [Bohr] 30

3.3. Vibrationrotation effects The canonical functions approach was used to calculate, for the ab initio potentials of the molecular ion KCs+ , the vibrational energies Ev , the rotational constants Bv , and the centrifugal distortion constants Dv for the bound states (1)2 + , (2)2 + , (3)2 + , (1)2 , (1) = 1/2, and (1) = 3/2. Full results are given at the address http://hplasim2.univ-lyon1.fr/allouche/kcsplus.html, and the values for some vibrational levels are displayed in Tables 4 and 5. From the electronic wave functions e and e , derived in the ab initio process, for the lower and upper states, respectively, the electric dipole moment Re (r) (2) have been calculated for the electronic states (1)2 + , (2)2 + , (3)2 + , (1)2 , and the electric dipole transition moment Ree (r) for the electronic transitions (1)2 + (3)2 + , (1)2 + (1)2 , and (3)2 + (1)2 for 6a0 < r < 25a0 . These
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Korek et al. Table 3. Calculated spectroscopic constants for the bound electronic states of the molecular ion KCs+ . States (1)2 + (2)2 + (3)2 + (1)2 (1) = 1/2 (1) = 3/2 Te (cm1 ) 0.00 7 793.56 15 569.70 15 413.78 36.54 15 511.73 re () 4.832 8.778 8.905 4.859 4.849 4.890 e 102 (cm1 ) 55.51 16.91 20.89 30.79 55.10 30.60 Be 102 (cm1 ) 2.391 0.724 0.704 2.367 2.373 2.333

1031

Table 4. Values of the eigenvalues Ev , the rotational constants Bv , and the centrifugal distortion constants Dv for some vibrational levels of the (1)2 + , (2)2 + , and (3)2 + states of the molecular ion KCs+ . (1)2 v 0 5 10 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 Ev 27.360 298.679 563.821 822.766 1075.491 1321.944 1562.018 1795.658 2022.696 2243.018 2456.417 2662.671 2861.528 3052.668 3235.699 3410.178 3575.556 3731.250 3876.513 4010.568 4132.480 4241.443
+

(2)2 Bv 102 Dv 108 2.3860 2.3481 2.3098 2.2708 2.2313 2.1910 2.1500 2.1082 2.0654 2.0215 1.9756 1.9285 1.8793 1.8276 1.7732 1.7156 1.6536 1.5863 1.5138 1.4341 1.3460 1.2500 1.8051 1.8135 1.8220 1.8400 1.8425 1.8686 1.8493 1.9149 1.9419 1.9515 2.0017 2.0237 2.0234 2.1573 2.1613 2.3438 2.4629 2.6520 2.8078 3.1747 3.3757 3.8202 Ev

(3)2 Bv 102 Dv 108 0.7164 0.6882 0.6560 0.6198 0.5800 0.4899 0.3725 0.5493 0.6443 0.7758 0.8937 1.0122 1.4358 1.8733 Ev

Bv 102 Dv 108 0.7033 0.7013 0.6988 0.6962 0.6930 0.6892 0.6849 0.6872 1.4601 1.5661 1.6471 1.6962 1.7345 1.7343 1.7738 1.7470 1.7870 1.7598 1.7866 1.7594 0.3205 0.3370 0.3461 0.3606 0.3838 0.4185

25.007 103.769 174.811 237.938 293.106 380.150 447.962

10.454 113.9635 215.8286 316.0223 414.4919 511.2011 606.0577 699.0263 789.9893 878.9396 965.7656 1050.7038 1134.5559 1217.6386 1315.5134 1394.5708 1470.5865 1542.9150 1611.0695 1674.5573

functions are plotted in terms of r in Figs. 7 and 8. The values of Re and Ree for various values of the internuclear distance r have been tted to a polynomial (3) where the coefcients Ai (up to i = 6) for the transitions considered are given in Tables 6 and 7. The canonical functions approach has proved to be a powerful technique with very good accuracy for the calculation of the matrix elements for different types of transitions where J = 1, 2, 3, . . . [8, 10, 1721]. Using the polynomial expansions of the dipole moment function Re (r) (3) (Tables 6 and 7) and the pure vibrational wave functions for the electronic states (1)2 + , (2)2 + , (3)2 + and (1)2 , the matrix elements (Re )v have been calculated for different vibrational levels v = 0, 10, 20, v with v v = 0, 1, 2, . . . , 6 (Table 8). To the best of our knowledge, results on the molecular ion KCs+ are given here for the rst time.
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1032

Can. J. Phys. Vol. 80, 2002

Table 5. Values of the eigenvalues Ev , the rotational constants Bv , and the centrifugal distortion constants Dv for some vibrational levels of the (1)2 , (1) = 1/2, and (1) = 3/2 states of the molecular ion KCs+ . (1)2 v 0 5 10 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 85 87 Ev 15.200 165.275 313.047 458.408 601.198 741.231 878.322 1012.274 1142.815 1269.705 1392.628 1511.248 1534.434 1557.420 1580.215 1625.207 1734.054 1837.272 1934.203 2024.158 Bv 10 2.3581 2.3025 2.2481 2.1943 2.1410 2.0875 2.0337 1.9795 1.9242 1.8674 1.8094 1.7491 1.7363 1.7239 1.7120 1.6857 1.6193 1.5483 1.4708 1.3846
2

(1) Dv 10 5.7178 5.3442 5.0221 4.7355 4.5367 4.3423 4.0733 3.9939 3.7842 3.6564 3.8251 3.5585 3.8969 3.8691 3.6915 3.6423 3.8667 4.2377 4.3152 4.8914
8

= 1/2 Bv 10 2.3688 2.3305 2.2916 2.2522 2.2124 2.1717 2.1307 2.0886 2.0451 2.0008 1.9549 1.9072 1.8578 1.8058 1.7509 1.6926 1.6314
2

(1) Dv 10 1.7644 1.7701 1.7865 1.7845 1.8093 1.8170 1.8382 1.8422 1.8755 1.9041 1.9328 1.9947 2.0385 1.9990 2.1344 2.2509 2.1264 1.6446
8

= 3/2 Bv 102 Dv 108 2.3282 2.2710 2.2147 2.1600 2.1059 2.0511 1.9967 1.9411 1.8842 1.8265 1.7659 5.5214 5.8585 6.1102 6.2866 6.9155 6.5657 5.3666 5.0605 4.7401 4.4674 4.2850 4.0214 4.0305 3.8553 3.7453 3.7840

Ev 27.490 298.875 564.014 822.909 1075.524 1321.776 1561.603 1794.906 2021.553 2241.366 2454.186 2659.767 2857.821 3048.034 3230.020 3403.310 3567.402 3727.111

Ev 15.393 167.192 316.361 462.827 606.422 746.966 884.262 1018.064 1148.136 1274.153 1395.793 1512.648 1624.277 1730.127 1829.537 1921.697 2005.557

Fig. 7. Variation of the dipole moment function Re (r) (atomic units) for the states (1)2 of the molecular ion KCs+ .

, (2)2 , (3)2 , and (1)2

4. Conclusion
The potential energy has been calculated over a wide range of internuclear distance for numerous electronic states of the molecular ion KCs+ . The calculation is done by using an ab initio method based on
2002 NRC Canada

Korek et al.

1033

Fig. 8. Variation of the dipole transition moment function Ree (r) (atomic units) for the electronic transitions (1)2 + (2)2 + , (1)2 + (1)2 , (2)2 + (1)2 , and (3)2 + (1)2 of the molecular ion KCs+ .

Table 6. Fitted coefcients of the permanent dipole moment (3) for the states (1)2 + , (2)2 + , (3)2 + , and (1)2 of the molecular ion KCs+ . (1)2 A0 A1 A2 A3 A4 A5 A6
+

(2)2

(3)2

(1)2 6.4036 5.2000 1.2278 1.5160(1) 9.5627(3) 2.8986(4) 3.3562(6)

17.5588 58.7968 8.5803 29.4143 1.6946 5.3776 1.4889(1) 4.8641(1) 6.3539(3) 2.2741(2) 1.2777(4) 5.3292(4) 9.4468(7) 4.9663(6)

17.7528 6.0244 9.4440(1) 6.8862(2) 2.7024(3) 5.6812(5) 4.9754(7)

Note: The number in parentheses indicates the power of 10 by which the preceding number should be multiplied.

Table 7. Fitted coefcients of the dipole moment functions (3) for the transitions: (1)2 + (2)2 + , (1)2 + (1)2 , (2)2 + (1)2 and (3)2 + (1)2 . (1)2 A0 A1 A2 A3 A4 A5 A6
+

(2)2

(1)2

(1)2

(2)2

(1)2

(3)2

(1)2

6.0309 6.4497 1.7364 2.1849(1) 1.3610(2) 4.0631(4) 4.6485(6)

5.7934(1) 3.6475(1) 2.1974(2) 6.2427(4) 6.9194(6)

11.3340 5.9431 1.1818 1.1543(1) 5.8594(3) 1.4823(4) 1.4785(6)

2.7031 1.5461 4.8185(1) 6.4580(2) 4.1006(3) 1.2314(4) 1.4124(6)

Note: The number in parentheses indicates the power of 10 by which the preceding number should be multiplied.

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1034

Can. J. Phys. Vol. 80, 2002 Table 8. Some matrix elements (Re )v of the dipole moment functions (1) for the states (1)2 v (2)2 + , (3)2 + , (1)2 and for the transition (1)2 + (1)2 of the molecular ion KCs+ . V v 0 1 2 3 4 5 6 10 11 12 13 14 15 16 20 21 22 23 24 25 26 (1)2
+ +

(2)2

(3)2

(1)2 6.3969 1.4250(1) 3.6900(3) 9.3986(3) 3.5917(3) 3.5645(3) 1.3013(3) 5.9885 5.9455(1) 3.6254(2) 3.7731(2) 8.1178(3) 2.3184(2) 6.7697 2.1763

(1)2

(1)2

10

20

17.5578 58.5399 1.8642(1) 9.2077(1) 8.0339(3) 7.0983(2) 1.9081(3) 6.6445(3) 1.1775(3) 9.8697(3) 2.6547(3) 6.4251(4) 1.5725(3) 6.3737(3) 17.5358 58.5399 8.3503(1) 2.7173 1.6634(2) 7.2614(1) 3.5451(2) 1.0179 5.6382(2) 1.0218 4.3778(3) 5.5836(2) 4.8524(2) 3.8500(1) 17.6531 47.0506 1.0711 9.0711 1.0187(1) 1.8882 6.9967(2) 9.2438(1) 1.9145(3) 2.6716(1) 3.9152(2) 3.4406(3)

17.7636 3.3139(3) 5.6260(3) 1.3513(3) 3.5222(3) 1.6445(3) 2.3352(3) 17.6674 3.5535(1) 9.8571(3) 3.7057(2) 3.4961(2) 2.5551(2) 1.4746(2) 17.4197 5.7745(1) 1.9182(1) 1.5944(1) 2.1241(1) 1.7367(1) 7.4250(2)

5.682(1) 7.464(2) 3.706(1) 1.343(2) 1.713(1) 1.106(2) 7.217(2) 2.033(2) 4.529(2) 1.843(1) 3.602(1) 7.875(2) 3.656(1) 8.464(2)

Note: The number in parentheses indicates the power of 10 by which the preceding number should be multiplied.

non-empirical one electron pseudopotential and core polarization potentials. The spectroscopic constants e , Be , and De for six bound states (1)2 + , (2)2 + , (3)2 + , (1)2 , (1) = 1/2, and (1) = 3/2 have been calculated together with the values of the equilibrium internuclear distance re and the electronic transition energy Te . From the electronic structure of the investigated molecular states of the ion KCs+ and by using the canonical functions approach the vibrational eigenvalues Ev , the rotational constant Bv and the centrifugal distortion constant Dv have been calculated for a large number of vibrational levels for the obtained bound states. The dipole and transition dipole moment functions Re (r) and Ree (r) have been calculated, respectively, for the states (1)2 + , (2)2 + , (3)2 + , (1)2 , and for the transitions (1)2 + (2)2 + , (1)2 + (1)2 , (2)2 + (1)2 , and (3)2 + (1)2 with the v corresponding (Re )v (eq. 2) for v = 0, 10, 20 and v v = 0, 1, 2, .., 6. As these results are expected to be useful for further investigations of the KCs+ spectra, we display extensive energy values versus internuclear distance r and the values of Ev , Bv and Dv at the following address: http://hplasim2.univlyon1.fr/allouche.

Acknowledgement
The work reported here was performed and nancially supported in the framework of the bilateral cooperation between the National Council for Scientic Research-France and the National Council for Scientic Research-Lebanon (cooperation contract No. 9589).

References
1. A.R. Allouche, M. Korek, K. Fakherddin, M. Dagher, A.Chaalan, F. Taher, and M. AubertFrecon. J. Phys. B: At. Mol. Opt. Phys. 33, 2307 (2000).
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2002 NRC Canada