A supplementary material to the paper Electronic structure and rovibrational predissociation of the 2sPi state in KLi P. Jasik (a), J. Kozicki (b), T. Kilich (a), J. E. Sienkiewicz (a) and N. E. Henriksen (c) (a) Faculty of Applied Physics and Mathematics, Gdansk University of Technology, Narutowicza 11/12, 80-233 Gdansk, Poland (b) Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Narutowicza 11/12, 80-233 Gdansk, Poland (c) Department of Chemistry, Building 207, Technical University of Denmark, DK-2800 Kgs. Lyngby, Denmark. Content A. Details of atomic basis B. Table 1. Born-Oppenheimer potential energy curves of KLi correlating with the K(4s) + Li(2p) atomic asymptote. C. Table 2. Energies, widths and lifetimes of all calculated quasi-bound levels of the 2sPi (second singlet pi) state. D. Molecular movies A. Details of atomic basis The core electrons of K atoms are represented by the pseudopotential ECP18SDF {Fuentealba1982}. We use the basis sets for potassium which come with ECP18SDF {Fuentealba1988} for s and p functions and ECP10MDF pseudopotential {Lim2005} for d and f functions. Additionally, these basis sets are augmented by seventeen s functions (76.345701, 26.791999, 18.608373, 4.535573, 1.618743, 1.014043, 0.577728, 0.465037, 0.213265, 0.097803, 0.065676, 0.009433, 0.007466, 0.005909, 0.004326, 0.001984, 0.000849), six p functions (17.126069, 4.012627, 0.940156, 0.004358, 0.001929, 0.000854), ten $d$ functions (25.549602, 10.052166, 3.954897, 1.680236, 0.713847, 0.240858, 0.010789, 0.003932, 0.001433, 0.000522) and six f functions (4.611628, 1.680236, 0.029604, 0.010785, 0.003929, 0.001431). The numbers listed in parenthesis are the exponential coefficients of the uncontracted Gaussian Type Orbitals (GTO). The core electrons of the Li atom are represented by the pseudopotential ECP2SDF {Fuentealba1982}. The basis set for the s and p orbitals, which comes with this pseudopotential {Fuentealba1988} is enlarged by functions for d and f orbitals given by Prascher et al. {Prascher2011} and assigned by cc-pV5Z. Additionally, our basis set was augmented by six s short range correlation functions (1979.970927, 392.169555, 77.676373, 15.385230, 5.269282, 0.119550), seven p functions (470.456384, 96.625417, 19.845562, 4.076012, 0.567670, 0.141468, 0.035314), seven d functions (7.115763, 3.751948, 1.978300, 1.043103, 0.600714, 0.321311, 0.152909) and five f functions (2.242072, 1.409302, 0.885847, 0.556818, 0.138286). Also, we added to the basis the following set of diffuse functions: three s functions (0.010159, 0.003894, 0.001493), four p functions (0.015774, 0.007058, 0.002598, 0.000956), three d functions (0.026579, 0.011581, 0.005046) and three f functions (0.055000, 0.027500, 0.013750). The numbers in parenthesis are coefficients of the exponents of the primitive Gaussian orbitals. B. Table 1 Born-Oppenheimer potential energy curves of KLi correlating with the K(4s) + Li(2p) atomic asymptote. R [A] 3sSigma [cm^-1] 3tSigma [cm^-1] 2sPi [cm^-1] 2tPi [cm^-1] 47.096771749630 21120.7761294119 21120.7761294119 21120.7739346656 21120.7739346656 42.334176853600 21120.7827136509 21120.7827136509 21120.7739346656 21120.7739346656 39.688290800250 21120.7892978898 21120.7892978898 21120.7739346656 21120.7739346656 37.042404746900 21120.8002716214 21120.8002716214 21120.7761294119 21120.7761294119 34.396518693550 21120.8156348456 21120.8156348456 21120.7783241583 21120.7783241583 31.750632640200 21120.8441665477 21120.8441665477 21120.7849083972 21120.7849083972 29.104746586850 21120.8946457129 21120.8946457129 21120.7914926361 21120.7914926361 26.458860533500 21120.9977987896 21120.9977987896 21120.8090506066 21120.8090506066 25.400506112160 21121.0636411790 21121.0636411790 21120.8200243382 21120.8200243382 24.342151690820 21121.1514310316 21121.1514310316 21120.8331928161 21120.8331928161 23.283797269480 21121.2699473325 21121.2699473325 21120.8529455329 21120.8529455329 22.225442848140 21121.4323585597 21121.4323585597 21120.8814772350 21120.8814772350 21.167088426800 21121.6584174301 21121.6584174301 21120.9187879223 21120.9187879223 20.108734005460 21121.9788503918 21121.9788503918 21120.9714618339 21120.9714618339 19.050379584120 21122.4375523714 21122.4375523714 21121.0482779548 21121.0482779548 17.992025162780 21123.1091447434 21123.1091447434 21121.1602100168 21121.1602100168 16.933670741440 21124.1077543161 21124.1077543161 21121.3270107367 21121.3270107367 15.875316320100 21125.6177397800 21125.6177397800 21121.5816013091 21121.5816013091 15.346139109430 21126.6514652937 21126.6558547864 21121.7593757605 21121.7593757605 14.816961898760 21127.9441708725 21127.9507551114 21121.9810451382 21121.9810451382 14.287784688090 21129.5660883983 21129.5792568762 21122.2597779200 21122.2597779200 13.758607477420 21131.6072024701 21131.6379289185 21122.6153268228 21122.6153268228 13.229430266750 21134.1750556571 21134.2518717781 21123.0718340561 21123.0674445635 12.700253056080 21137.4057222309 21137.5878861749 21123.6578313218 21123.6512470829 12.171075845410 21141.4352764628 21141.8676414866 21124.4172135464 21124.4018503222 11.641898634740 21146.3756504150 21147.3874284656 21125.4070441339 21125.3697334465 11.112721424070 21152.1895334000 21154.5510804335 21126.6953602200 21126.6097651138 10.583544213400 21158.4204181846 21163.9358156709 21128.3765358963 21128.1790087281 10.318955608065 21161.2933411092 21169.7123879686 21129.3948981858 21129.0986074335 10.054367002730 21163.5539298123 21176.3997799864 21130.5493347469 21130.1038012452 9.7897783973950 21164.5920448187 21184.1911294000 21131.8464298183 21131.1880059241 9.5251897920600 21163.4463872429 21193.3366372892 21133.2927676390 21132.3226897683 9.2606011867250 21158.6113611138 21204.1720998400 21134.8751797312 21133.4573736125 8.9960125813900 21147.8132092504 21217.1452453003 21136.5607449001 21134.5108518431 8.7314239760550 21127.7598121821 21232.8596289064 21138.2726470248 21135.3404659497 8.4668353707200 21094.0748457594 21252.1251120481 21139.8682275948 21135.7333255398 8.2022467653850 21041.7279514313 21276.0127309264 21141.0885065452 21135.3602186665 7.9376581600500 20966.1364988948 21305.9446811527 21141.4879503743 21133.7361063943 7.8053638573825 20918.6070727253 21323.7374895178 21141.1653226662 21132.2458736473 7.6730695547150 20864.2497907738 21343.7799128546 21140.3335138133 21130.1674488883 7.5407752520475 20802.8605416333 21366.3879946320 21138.8301125885 21127.3735368309 7.4084809493800 20734.2154611796 21391.9216732456 21136.4510075844 21123.7214789649 7.2761866467125 20657.9963111974 21420.7869767634 21132.9481924677 21119.0532535557 7.1438923440450 20573.7882846332 21453.4228544482 21128.0078185156 21113.1976703907 7.0115980413775 20481.0865898351 21490.3231242205 21121.2523893620 21105.9747602723 6.8793037387100 20379.3271770003 21532.0101357029 21112.2166187885 21097.1979697638 6.7470094360425 20267.9679437894 21579.0479386982 21100.3452359777 21086.6873296675 6.6147151333750 20146.5457987301 21632.0247252183 21084.9732327965 21074.2694550246 6.4824208307075 20014.7688405628 21691.5418557533 21065.3214743036 21059.7863241005 6.3501265280400 19872.5865901223 21758.2006907930 21040.4813355252 21043.1018626237 6.2178322253725 19720.2492484882 21832.5652801402 21009.4212856936 21024.0799963229 6.0855379227050 19558.3735393748 21915.1250522227 20970.9912777407 21002.5868456728 5.9532436200375 19387.9646565937 22006.2136084803 20923.9534747455 20978.4424414757 5.8209493173700 19210.4513799952 22105.8945965560 20867.0195606217 20951.4031668909 5.6886550147025 19027.6751017364 22213.7400409187 20798.9297509854 20921.1288362397 5.5563607120350 18841.8788525500 22328.4528464970 20718.5669199629 20887.1607475426 5.4240664093675 18655.6677963102 22447.1688693514 20625.1036481939 20848.9567984599 5.2917721067000 18471.9697245997 22564.1773795738 20518.1953605072 20805.9463549503 5.1859366645660 18328.9403020821 22649.6408010294 20423.2242980207 20767.7446006140 5.0801012224320 18191.2463078530 22718.6480146248 20320.5299232562 20726.0224731906 4.9742657802980 18060.6369547246 22759.7929237678 20211.2820359991 20680.8216728599 4.8684303381640 17938.8855977183 22762.1720287718 20097.2474070318 20632.4428798669 4.7625948960300 17827.7787603335 22721.2487890065 19980.8907364645 20581.5181811501 4.6567594538960 17729.1183292936 22641.7836092263 19865.4141591691 20529.0944707010 4.5509240117620 17644.7566704875 22534.4429565158 19754.7572447786 20476.6992919540 4.4450885696280 17576.6405238955 22410.8194809039 19653.4872603717 20426.4088749218 4.3392531274940 17526.9053776807 22281.1297264809 19566.5884748270 20380.8942258683 4.2334176853600 17497.9917897440 22154.0934203512 19499.1526995922 20343.4781907123 4.1275822432260 17492.7726830100 22037.4975224358 19456.1049453953 20318.1683762227 4.0217468010920 17514.7311198786 21938.7931964697 19442.0388162707 20309.7251871539 3.9159113589580 17568.1161292131 21865.5369540109 19461.3042994124 20323.7101106648 3.8100759168240 17658.1160912990 21825.7220611341 19518.3018611793 20366.5493639619 3.7042404746900 17791.0145648326 21828.0309342561 19617.8511644761 20445.6238788983 3.5984050325560 17974.3439191625 21882.0458357826 19765.5422281641 20569.3527023333 3.4925695904220 18216.9950716054 21998.4310380519 19967.9724596621 20747.2785912388 3.3867341482880 18529.3403932399 22189.1062082937 20232.8717554870 20990.1865290004 3.2808987061540 18923.2797985789 22467.3846776469 20569.0937222682 21310.1432308508 3.1750632640200 19412.2385508233 22848.0151413397 20986.4796024765 21720.4993386163 3.0692278218860 20010.9916821570 23347.1026478218 21495.5400362081 22235.7226199968 2.9633923797520 20735.3523397701 23981.8540081928 22106.9634380108 22871.0424196630 2.8575569376180 21601.6209045346 24770.0751992958 22830.9970784232 23641.7780668847 2.7517214954840 22625.7861033458 25729.3198021476 23676.8149970366 24562.2129706713 2.6458860533500 23822.4320254581 26875.5567909269 24652.2041537721 25643.8476017068 2.5400506112160 25203.4256641899 28221.2501299490 25764.2031000576 26892.8162759378 2.4342151690820 26776.7580908692 29773.1135481878 27021.1760140947 28306.4962715195 2.3283797269480 28546.0155209728 31530.2757313565 28435.7009870072 29869.6823859907 2.2225442848140 30105.2488973329 33485.1099360151 30024.4734540034 31551.4945387174 2.1167088426800 31400.0065639067 35632.1117384088 31800.0100533105 33305.9220679792 2.0108734005460 32834.6463867843 37994.9756197404 33758.2570884869 35081.4564725399 C. Table 2 Energies, widths and lifetimes of all calculated quasi-bound levels of the 2sPi (second singlet pi) state. Present results obtained by time-dependent calculations (Present,TDSE) and by means of the code LEVEL (Present) are compared with those measured in the experiment [27]. Only levels with the f rotational symmetry are listed. The double column Delta E gives differences between Experiment and respectively Present,TDSE and Present. Delta Gamma gives the relative difference between level widths calculated as (Present - Present,TDSE)/Present,TDSE. Delta tau gives the difference between two theoretical values, namely Present,TDSE and Present. Energy [cm^-1] Width Gamma [cm^-1] Lifetime tau [s] J v Present,TDSE Present Experiment Delta E Present,TDSE Present Delta Gamma Present,TDSE Present Delta tau 1 18 21140.338 21140.449 1.2580E+00 1.3698E+00 0.089 4.2201E-12 3.8756E-12 3.4443E-13 2 18 21140.605 21140.720 1.3096E+00 1.4321E+00 0.094 4.0538E-12 3.7070E-12 3.4676E-13 3 18 21141.006 21141.122 1.3787E+00 1.5282E+00 0.108 3.8506E-12 3.4739E-12 3.7670E-13 4 18 21141.507 21141.643 1.4948E+00 1.6508E+00 0.104 3.5515E-12 3.2159E-12 3.3562E-13 5 18 21142.175 21142.238 1.6331E+00 1.7715E+00 0.085 3.2508E-12 2.9968E-12 2.5397E-13 9 17 21123.106 21123.131 21123.635 0.529, 0.504 1.0799E-09 9.4903E-10 -0.121 4.9160E-03 5.5940E-03 -6.7792E-04 10 17 21124.942 21124.966 2.0026E-08 2.1731E-08 0.085 2.6510E-04 2.4430E-04 2.0799E-05 11 17 21126.979 21126.973 21127.370 0.391, 0.397 2.7966E-07 2.4276E-07 -0.132 1.8983E-05 2.1869E-05 -2.8855E-06 12 17 21129.150 21129.150 21129.508 0.358, 0.358 1.8633E-06 1.8238E-06 -0.021 2.8492E-06 2.9109E-06 -6.1707E-08 13 17 21131.488 21131.494 21131.791 0.303, 0.297 9.5909E-06 1.0543E-05 0.099 5.5353E-07 5.0354E-07 4.9987E-08 14 17 21133.993 21133.998 21134.211 0.218, 0.213 4.8781E-05 5.0431E-05 0.034 1.0883E-07 1.0527E-07 3.5607E-09 15 17 21136.664 21136.659 21136.835 0.171, 0.176 2.0220E-04 2.0800E-04 0.029 2.6255E-08 2.5523E-08 7.3212E-10 16 17 21139.470 21139.469 21139.584 0.114, 0.115 7.4449E-04 7.5907E-04 0.020 7.1308E-09 6.9939E-09 1.3697E-10 17 17 21142.408 21142.423 21142.417 0.009, -0.006 2.4877E-03 2.4938E-03 0.002 2.1340E-09 2.1288E-09 5.2200E-12 18 17 21145.514 21145.509 21145.434 -0.080, -0.075 7.3878E-03 7.4499E-03 0.008 7.1860E-10 7.1261E-10 5.9900E-12 19 17 21148.720 21148.719 21148.553 -0.167, -0.166 2.0125E-02 2.0341E-02 0.011 2.6379E-10 2.6099E-10 2.8012E-12 20 17 21152.026 21152.037 21151.714 -0.312, -0.323 4.9872E-02 5.0865E-02 0.020 1.0645E-10 1.0437E-10 2.0781E-12 21 17 21155.433 21155.451 21155.066 -0.367, -0.385 1.1437E-01 1.1653E-01 0.019 4.6418E-11 4.5558E-11 8.6041E-13 22 17 21158.939 21158.948 21158.400 -0.539, -0.548 2.4177E-01 2.4461E-01 0.012 2.1958E-11 2.1703E-11 2.5494E-13 23 17 21162.513 21162.521 21161.830 -0.683, -0.691 4.7034E-01 4.7253E-01 0.005 1.1287E-11 1.1235E-11 5.2312E-14 24 17 21166.153 21166.174 8.3086E-01 8.4896E-01 0.022 6.3896E-12 6.2533E-12 1.3623E-13 25 17 21169.860 21169.917 1.3596E+00 1.4341E+00 0.055 3.9047E-12 3.7019E-12 2.0285E-13 26 17 21173.594 21173.538 2.0983E+00 2.1353E+00 0.018 2.5301E-12 2.4862E-12 4.3840E-14 24 16 21135.729 21135.742 21135.324 -0.405, -0.418 3.6174E-10 3.9474E-10 0.091 1.4676E-02 1.3449E-02 1.2269E-03 25 16 21140.672 21140.685 21140.004 -0.668, -0.681 1.7337E-08 1.8265E-08 0.054 3.0621E-04 2.9066E-04 1.5558E-05 26 16 21145.748 21145.778 21146.681 0.933, 0.903 3.6235E-07 3.8485E-07 0.062 1.4651E-05 1.3795E-05 8.5657E-07 27 16 21150.991 21151.012 21151.614 0.623, 0.602 4.6940E-06 4.8716E-06 0.038 1.1310E-06 1.0898E-06 4.1231E-08 28 16 21156.368 21156.380 21156.762 0.394, 0.382 4.2461E-05 4.2963E-05 0.012 1.2503E-07 1.2357E-07 1.4609E-09 29 16 21161.845 21161.868 21162.014 0.169, 0.146 2.8348E-04 2.8770E-04 0.015 1.8727E-08 1.8453E-08 2.7469E-10 30 16 21167.455 21167.465 21167.380 -0.075, -0.085 1.5023E-03 1.5443E-03 0.028 3.5338E-09 3.4377E-09 9.6108E-11 31 16 21173.133 21173.152 21172.888 -0.245, -0.264 6.7315E-03 6.8733E-03 0.021 7.8866E-10 7.7239E-10 1.6270E-11 32 16 21178.877 21178.906 21178.406 -0.471, -0.500 2.5554E-02 2.5844E-02 0.011 2.0775E-10 2.0542E-10 2.3312E-12 33 16 21184.688 21184.702 21183.965 -0.723, -0.737 8.1813E-02 8.2820E-02 0.012 6.4890E-11 6.4101E-11 7.8899E-13 34 16 21190.499 21190.509 21189.630 -0.869, -0.879 2.2249E-01 2.2701E-01 0.020 2.3861E-11 2.3386E-11 4.7510E-13 35 16 21196.309 21196.311 5.2662E-01 5.3651E-01 0.019 1.0081E-11 9.8951E-12 1.8583E-13 36 16 21202.087 21202.120 1.0863E+00 1.1147E+00 0.026 4.8871E-12 4.7626E-12 1.2451E-13 37 16 21207.864 21207.938 1.9701E+00 2.0734E+00 0.052 2.6947E-12 2.5605E-12 1.3425E-13 34 15 21154.164 21154.168 21153.802 -0.362, -0.366 3.3995E-10 3.1517E-10 -0.073 1.5617E-02 1.6844E-02 -1.2278E-03 35 15 21161.478 21161.472 21162.212 0.734, 0.740 1.2180E-08 1.2665E-08 0.040 4.3587E-04 4.1917E-04 1.6691E-05 36 15 21168.891 21168.907 2.7307E-07 2.7588E-07 0.010 1.9441E-05 1.9243E-05 1.9802E-07 37 15 21176.472 21176.463 21176.701 0.229, 0.238 3.8768E-06 3.8614E-06 -0.004 1.3694E-06 1.3748E-06 -5.4614E-09 38 15 21184.120 21184.126 21184.189 0.069, 0.063 3.7771E-05 3.8557E-05 0.021 1.4055E-07 1.3769E-07 2.8652E-09 39 15 21191.868 21191.883 21191.743 -0.125, -0.140 2.8978E-04 2.9404E-04 0.015 1.8320E-08 1.8055E-08 2.6542E-10 40 15 21199.716 21199.713 21199.333 -0.383, -0.380 1.7736E-03 1.7881E-03 0.008 2.9933E-09 2.9690E-09 2.4273E-11 41 15 21207.564 21207.593 21206.890 -0.674, -0.703 8.7548E-03 8.9113E-03 0.018 6.0639E-10 5.9574E-10 1.0649E-11 42 15 21215.479 21215.488 3.6380E-02 3.6912E-02 0.015 1.4593E-10 1.4382E-10 2.1032E-12 43 15 21223.327 21223.358 1.2539E-01 1.2745E-01 0.016 4.2339E-11 4.1654E-11 6.8433E-13 44 15 21231.141 21231.163 3.6025E-01 3.6692E-01 0.019 1.4737E-11 1.4469E-11 2.6789E-13 45 15 21238.856 21238.891 8.7055E-01 8.8924E-01 0.021 6.0983E-12 5.9701E-12 1.2817E-13 46 15 21246.504 21246.573 1.7858E+00 1.8662E+00 0.045 2.9728E-12 2.8447E-12 1.2808E-13 42 14 21173.500 21173.529 3.9293E-10 5.0401E-11 -0.872 1.3511E-02 1.0533E-01 -9.1821E-02 43 14 21182.918 21182.928 2.3312E-09 2.2425E-09 -0.038 2.2773E-03 2.3674E-03 -9.0076E-05 44 14 21192.436 21192.447 5.6469E-08 5.6882E-08 0.007 9.4013E-05 9.3331E-05 6.8260E-07 45 14 21202.054 21202.075 9.1561E-07 9.4413E-07 0.031 5.7981E-06 5.6230E-06 1.7515E-07 46 14 21211.772 21211.797 1.1082E-05 1.1222E-05 0.013 4.7905E-07 4.7307E-07 5.9764E-09 47 14 21221.590 21221.598 1.0045E-04 1.0147E-04 0.010 5.2851E-08 5.2319E-08 5.3127E-10 48 14 21231.442 21231.456 7.1820E-04 7.2757E-04 0.013 7.3919E-09 7.2967E-09 9.5196E-11 49 14 21241.327 21241.345 4.2147E-03 4.2525E-03 0.009 1.2596E-09 1.2484E-09 1.1196E-11 50 14 21251.246 21251.231 2.0288E-02 2.0543E-02 0.013 2.6167E-10 2.5843E-10 3.2482E-12 51 14 21261.064 21261.066 8.1186E-02 8.2309E-02 0.014 6.5391E-11 6.4499E-11 8.9218E-13 52 14 21270.782 21270.793 2.6828E-01 2.7182E-01 0.013 1.9788E-11 1.9531E-11 2.5771E-13 53 14 21280.367 21280.376 7.3356E-01 7.4032E-01 0.009 7.2371E-12 7.1710E-12 6.6083E-14 54 14 21289.785 21289.840 1.6714E+00 1.6977E+00 0.016 3.1763E-12 3.1271E-12 4.9206E-14 50 13 21205.527 21205.561 6.4856E-09 2.5553E-10 -0.961 8.1856E-04 2.0776E-02 -1.9957E-02 51 13 21217.015 21217.045 9.2430E-09 7.5750E-09 -0.180 5.7436E-04 7.0084E-04 -1.2647E-04 52 13 21228.603 21228.631 1.4530E-07 1.4863E-07 0.023 3.6537E-05 3.5718E-05 8.1860E-07 53 13 21240.259 21240.305 21240.344 0.085, 0.039 2.0540E-06 2.0915E-06 0.018 2.5846E-06 2.5383E-06 4.6342E-08 54 13 21252.014 21252.050 2.1845E-05 2.2362E-05 0.024 2.4302E-07 2.3740E-07 5.6186E-09 55 13 21263.803 21263.846 1.8477E-04 1.8892E-04 0.022 2.8732E-08 2.8101E-08 6.3116E-10 56 13 21275.625 21275.668 1.2668E-03 1.2967E-03 0.024 4.1907E-09 4.0941E-09 9.6632E-11 57 13 21287.447 21287.484 7.1898E-03 7.3604E-03 0.024 7.3838E-10 7.2127E-10 1.7114E-11 58 13 21299.236 21299.248 3.3983E-02 3.4759E-02 0.023 1.5622E-10 1.5273E-10 3.4876E-12 59 13 21310.891 21310.900 21309.310 -1.581, -1.590 1.3478E-01 1.3582E-01 0.008 3.9389E-11 3.9087E-11 3.0161E-13 60 13 21322.379 21322.373 4.3449E-01 4.3478E-01 0.001 1.2219E-11 1.2210E-11 8.1498E-15 61 13 21333.634 21333.644 1.1463E+00 1.1435E+00 -0.002 4.6313E-12 4.6426E-12 -1.1340E-14 62 13 21344.721 21344.746 2.5271E+00 2.5240E+00 -0.001 2.1008E-12 2.1033E-12 -2.5802E-15 57 12 21237.921 21237.890 4.9201E-09 2.2737E-10 -0.954 1.0790E-03 2.3349E-02 -2.2270E-02 58 12 21251.346 21251.328 1.7869E-08 5.9718E-09 -0.666 2.9710E-04 8.8898E-04 -5.9189E-04 59 12 21264.871 21264.856 21264.973 0.102, 0.117 1.1427E-07 1.1013E-07 -0.036 4.6459E-05 4.8205E-05 -1.7465E-06 60 12 21278.464 21278.459 1.5030E-06 1.5139E-06 0.007 3.5322E-06 3.5067E-06 2.5431E-08 61 12 21292.122 21292.120 21291.769 -0.353, -0.351 1.6023E-05 1.6219E-05 0.012 3.3133E-07 3.2732E-07 4.0039E-09 62 12 21305.815 21305.817 1.3779E-04 1.3970E-04 0.014 3.8528E-08 3.8002E-08 5.2677E-10 63 12 21319.507 21319.524 9.6608E-04 9.8987E-04 0.025 5.4952E-09 5.3632E-09 1.3207E-10 64 12 21333.166 21333.206 21332.115 -1.051, -1.091 5.7351E-03 5.8466E-03 0.019 9.2567E-10 9.0802E-10 1.7653E-11 65 12 21346.792 21346.817 2.8467E-02 2.8920E-02 0.016 1.8649E-10 1.8357E-10 2.9212E-12 66 12 21360.250 21360.289 1.1874E-01 1.1900E-01 0.002 4.4710E-11 4.4612E-11 9.7685E-14 67 12 21373.508 21373.546 4.0770E-01 4.0156E-01 -0.015 1.3021E-11 1.3221E-11 -1.9910E-13 68 12 21386.533 21386.546 1.1113E+00 1.1065E+00 -0.004 4.7771E-12 4.7979E-12 -2.0723E-14 69 12 21399.290 21399.327 2.5034E+00 2.5367E+00 0.013 2.1207E-12 2.0928E-12 2.7838E-14 63 11 21265.339 21265.383 4.0855E-11 2.5210E-11 -0.383 1.2994E-01 2.1058E-01 -8.0641E-02 64 11 21280.634 21280.662 21281.025 0.391, 0.363 8.3468E-10 7.3652E-10 -0.118 6.3603E-03 7.2080E-03 -8.4768E-04 65 11 21296.030 21296.030 1.5579E-08 1.5257E-08 -0.021 3.4077E-04 3.4796E-04 -7.1919E-06 66 11 21311.459 21311.471 2.3504E-07 2.3703E-07 0.008 2.2587E-05 2.2397E-05 1.8963E-07 67 11 21326.988 21326.971 2.8575E-06 2.8751E-06 0.006 1.8579E-06 1.8465E-06 1.1373E-08 68 11 21342.517 21342.509 2.7683E-05 2.8108E-05 0.015 1.9177E-07 1.8887E-07 2.8996E-09 69 11 21358.079 21358.061 2.2406E-04 2.2635E-04 0.010 2.3694E-08 2.3454E-08 2.3971E-10 70 11 21373.609 21373.599 1.5089E-03 1.5249E-03 0.011 3.5183E-09 3.4814E-09 3.6916E-11 70 10 21317.136 21317.194 1.2770E-09 2.3531E-10 -0.816 4.1573E-03 2.2561E-02 -1.8404E-02 (Attn. Tab width equals to 4 characters) D. Molecular movies The movies can be downloaded from http://aqualung.mif.pg.gda.pl/results/kli/predissociation/. The first movie J37_gauss_movie.mpg shows the formation of spectrum lines from the effective potential with J=37. Here the initial Gaussian shape of the wavepacket is assumed. In the second movie J37_v16_movie.mpg the same J=37 is used, but this time only the term with V=16 is formed. The reason lies in specific shape of the initial wavepacket. It is set as the eigenfunction of the solution of the stationary Schroedinger equation with other boundary at the classical turning point.