Calculation of radiative parameters for B1Π−X1Σ+ electron transition of KRb molecule

The paper presents calculation of radiative parameters (Einstein coefficients of spontaneous radiation, oscillator strengths for absorption, Franck-Condon factors, wave numbers of rotational lines in the system of bands B¹Π−X¹Σ⁺ of KRb molecule (0 ≤ ν’ ≤ 12, 0 ≤ ν’’ ≤ 30, j’ = 0,20,41, 50, 70,100)) and radiative lifetime of the excited electronic state. The calculations are performed on the basis of semi empirical potential energy curves built in the current paper. Both vibrational energies and wave functions are found as a result of a numerical solution of the radial wave equation.

References

[1] Lang F., Winkler K., Strauss C., Grimm R., Denschlag J.K. Ultracold triplet molecules in the rovibrational ground state. Phys. Rev. Lett, 2008, vol. 101, pp.133005-133009.

[2] Mark M.J., Danzl J.G., Haller E., Gustavsson M., Bouloufa N., Dulieu O., Salami H., Bergeman T., Ritsch H., Hart R., Nagerl H.C. Dark resonances for ground state transfer of molecular quantum gases. Appl. Phys. B., 2009, vol. 95, pp. 219-225.

[3] Ghanmi C., Farjallah M., Berriche H. Theoretical study of low-lying electronic states of the LiRb+ molecular ion: Structure, spectroscopy and transition dipole moments. Int. Journ. Quant. Chem., 2012, vol. 112, pp. 2403-2410.

[4] Smirnov A.D. Potential curves of the ground electronic states of dimers of sodium, potassium, and cesium. Opt. Spektrosk. [Opt. Spectrosc.], 1996, vol. 81, no. 3, pp. 352-357 (in Russ.).

[5] Smirnov A.D. The Franck-Condon factors and potential curves of the combining states for the cesium dimer A1E+-X1EJ+ transition. Opt. Spectrosc. [Opt. Spectrosc.], 1995, vol. 78, no. 4, pp. 615-621 (in Russ.).

[6] Smirnov A.D. Calculation of Molecular Constants for the Ground Electronic States of Alkali Metal Dimers Based on the Combined Potential Curves. Zh. Fiz. Khim. [Russian Journal of Physical Chemistry], 2002, vol. 76, no. 2, pp. 284-290 (in Russ.).

[7] Smirnov A.D. Calculation of Spectroscopic Constants for the Ground Electronic States of Heteronuclear Alkali Metal Dimers. Zh. Fiz. Khim. [Russian Journal of Physical Chemistry], 2003, vol. 77, no. 3, pp. 478-483 (in Russ.).

[8] Smirnov A.D. Calculation of Spectroscopic Constants for the Ground Electronic States of KRb and RbCs Molecules. Zhurn. strukt. khim. [Journal of Structural Chemistry], 2003, vol. 44, no. 5, pp. 46-50 (in Russ.).

[9] Smirnov A.D. Calculation of Spectroscopic Constants for the Ground Electronic States of CsK, CsLi and RbLi Molecules. Zhurn. Strukt. Khim. [Journal of Structural Chemistry], 2007, vol. 48, no. 1, pp. 15-20 (in Russ.).

[10] Smirnov A.D. Quantum Chemical Calculations of Molecular Constants for Alkali Metal Dimers, Mixed Dimers and Molecular Ions. Sb. Nauch. Tr. XVI Mezhdunar. nauch.-tekhn. konf. "Lazery v nauke, tekhnike, meditsine" [Proc. Int. Sci.-Tech. Conf. Lasers in Science, Engineering, Medicine]. Moscow, MNTORES im. A.S. Popova Publ., 2005. 232 p. (in Russ.).

[11] Smirnov A.D. Calculation of Spectroscopic Constants and Radiative Parameters for A1^ -X1S+ and B1n6-X1S+ Electronic Transitions of Sodium Dimer. Opt. Spectrosc. [Opt. Spectrosc.] 2010, vol. 109, no. 5, pp. 680-686 (in Russ.).

[12] Smirnov A.D. Calculation of Molecular Constants for the X1S+, А1Т,++, В1П6, 3X+ Conditions of K2. Opt. Spektrosk. [Opt. Spectrosc.], 2002, vol. 93, no. 5, pp.6739-742 (in Russ.).

[13] mirnov A.D. Calculation of Molecular Constants for the В1П6, C1П6, (1)1ng, (2)1S+ Electronic States of Rubidium Dimer. Zh. Fiz. Khim. [Russian Journal of Physical Chemistry], 2011, vol. 85, no. 6, pp. 1127-1131 (in Russ.).

[14] Smirnov A.D. Energy and Radiative Properties of the B1 П6 -X A Electronic Transition of the Cesium and Rubidium dimers. Jelektr. nauchno-tehn. Izd. "Inzhenernyy zhurnal: nauka i innovacii" [El. Sc.-Techn. Publ. "Eng. J.: Science and Innovation"], 2013, iss. 6. URL: http://engjournal.ru/catalog/fundamentals/physics/790.html

[15] Smirnov A.D. Calculation of the Spectroscopic Constants for the Electronic States A1^, В1П6, C1П6,, D1T,:+, E1^ of the Cesium Dimer. Opt. Spectrosc. [Opt. Spectrosc.], 2007, vol. 102, no. 1, p. 12-22 (in Russ.).

[16] Smirnov A.D. Calculation of Radiative Parameters of the A1 X+-X1S+ Transition of Cesium Dimer. Zhurn. Prikl. Spektroskopii [J. Applied Spectroscopy], 2010, vol. 77, no. 5, pp. 661-667 (in Russ.).

[17] Smirnov A.D. Calculation of Spectroscopic Constants and Radiative Parameters for A1^-X1S+ and В1П6-X1S+ Electronic Transitions of Lithium Dimer. Opt. Spectrosc. [Opt. Spectrosc.] 2012, vol. 113, no. 4, pp. 345-352 (in Russ.).

[18] Smirnov A.D. Calculation of Radiative Parameters for A1’E++- X1S+ and В1ПИ-X1S+ Electronic Transitions of Potassium Dimer. Vestn. Mosk. Gos. Tekh. Univ. im. N.E. Baumana, Estestv. Nauki [Herald of the Bauman Moscow State Tech. Univ., Nat. Sci.], 2013, no. 2 (49), pp. 67-85 (in Russ.).

[19] Amiot C., Verges J. The KRb ground electronic state potential up to 10 A. J. Chem. Phys. 2000, vol. 112, no. 16, pp. 7068-7075.

[20] Okada N., Kasahara S., Ebi T. Optical-optical double resonance polarization spectroscopy of the В1П state of KRb molecule. J. Chem. Phys., 1996, vol. 105, no. 9, pp. 3458-3463.

[21] Zulicke L. Quantenchemie. Ein Lehrgang. Band 1. Grundlagen und allgemeine Methoden. Berlin, VEB Deutscher Verlag der Wissenschaften, 1973.

[22] Kratzer A. Die ultraroten rotationsspektren der halogenwasserstoffe. Z. Phys., 1920, vol. 3, no. 5, pp. 289-307.

[23] Kemble E.C., Birge R.T., Colby W.F. et al. Molecular Spectra in Gases. National Research Council, Washington, D.C., 1930, p. 57.

[24] Laher R.R., Khakoo M.A., Antic-Jovanovic A. Radiative transition parameters for the A1^- X1S+ bands system of 107,109Ag2. J. Mol. Spectr., 2008, vol. 248, pp. 111-121.