Supplementary data Ground and first excited states of the NaSr molecule: Experimental and theoretical study J. Szczepkowski, M. Gronowski, M. Olko, R.Vexiau, M. Tomza, P. Kowalczyk, O. Dulieu, W. Jastrzebski ------------------------------------------------------------------------------------ Potential energy curves of ^2Sigma states calculated using the Composite Coupled-Cluster method. Distance in [Angstrom], Energy in [cm^-1]. Na(3s)+Sr(5s^2 1S) Na(3s)+Sr(5s5p 3P) R[A] X(1)^2Sigma B(2)^2Sigma ------------------------------------------------- 2.60 9851.4639202 18659.5684139 2.65 8922.9816408 17930.8986843 2.70 7920.7614722 17135.7442080 2.75 6992.5326963 16406.4054849 2.80 6138.3024684 15741.9090068 2.85 5358.0787615 15141.9278510 2.90 4651.8664745 14606.6752328 2.95 4016.3071784 14130.6122091 3.00 3444.2387374 13706.8526887 3.03 3131.0403726 13474.1129071 3.06 2838.0041388 13254.0957313 3.09 2564.6745073 13046.0449652 3.12 2311.0555689 12849.6234916 3.15 2075.7836569 12663.1239632 3.18 1857.0829464 12484.2333891 3.21 1654.9442912 12311.9221789 3.24 1469.1785279 12147.2562001 3.27 1298.0583216 11988.7717704 3.30 1141.1613318 11836.0939113 3.33 997.3840805 11689.0297703 3.36 864.0601619 11545.7733347 3.39 741.0758587 11407.2190005 3.42 628.4630198 11274.3931793 3.45 526.9917583 11149.0430644 3.48 437.0595507 11032.5263260 3.51 361.8823805 10928.8751326 3.54 296.8499133 10834.4783936 3.57 238.7163036 10746.5934801 3.60 187.4847125 10665.2900394 3.63 143.3144743 10590.4892956 3.66 105.9794728 10523.0432730 3.69 75.3898003 10463.2740213 3.72 50.5911006 10410.5598732 3.75 31.2235057 10364.9900419 3.78 16.8166340 10326.2631996 3.81 7.0837270 10294.1301937 3.84 1.6365461 10268.4117095 3.87 0.0025687 10249.0665255 3.90 1.9779704 10235.8044021 3.93 7.1762878 10228.3944576 3.96 15.3659966 10226.7230035 3.99 26.1715997 10230.5064253 4.02 39.4341489 10239.7117294 4.05 54.7609153 10254.0432882 4.08 71.9934278 10273.2191185 4.11 90.9227497 10296.9073125 4.14 111.2850507 10324.9590498 4.17 132.9881867 10357.5749420 4.20 155.9118490 10394.3924552 4.23 179.6424996 10434.9759742 4.26 204.1452328 10479.3038960 4.29 229.4167746 10527.2983099 4.32 255.2139669 10578.6636200 4.35 281.3812824 10633.1844454 4.38 307.9191261 10690.7969836 4.41 334.7707219 10751.3607406 4.44 361.6988158 10814.5542348 4.47 388.6770252 10880.2553216 4.50 415.7046202 10948.3739539 4.53 442.6562011 11018.6996830 4.56 469.4333408 11091.0200397 4.59 496.0364340 11165.2373808 4.62 522.4470706 11241.2197905 4.65 548.5715515 11318.7645425 4.68 574.3908186 11397.7516247 4.71 599.8982958 11478.0554569 4.74 625.0441914 11559.5094741 4.77 649.7804755 11641.9548282 4.80 674.1101315 11725.2887029 4.83 698.0283506 11809.3867962 4.86 721.4965503 11894.0965211 4.89 744.5079922 11979.2917071 4.92 767.0624960 12064.8645570 4.95 789.1613870 12150.7099580 4.98 810.8058390 12236.7151172 5.01 831.9959939 12322.7627136 5.04 852.7273378 12408.7630899 5.07 872.9634127 12494.5766974 5.10 892.6963587 12580.0673632 5.13 911.9258845 12665.1412743 5.16 930.7607562 12749.8249202 5.19 949.3584386 12834.1807321 5.22 967.7203966 12918.1112152 5.25 985.8496123 13001.5352619 5.28 1003.7779444 13084.3934068 5.31 1020.4880120 13165.6724724 5.34 1036.2071223 13245.4393104 5.37 1051.5614726 13324.1686486 5.40 1066.5558182 13401.7810493 5.43 1081.1928174 13478.1749750 5.46 1095.4807538 13553.3161301 5.49 1109.4255719 13627.1414676 5.52 1123.0342405 13699.5765875 5.55 1136.3124023 13770.5676248 5.58 1149.2648731 13840.0730308 5.61 1161.8974281 13908.0402111 5.64 1174.2236265 13974.2914465 5.67 1186.2443634 14038.9222233 5.70 1197.9651850 14101.9192441 5.73 1209.3912017 14163.2749583 5.76 1220.5283540 14222.9758695 5.79 1231.3836541 14281.0034745 5.82 1241.9634420 14337.3452442 5.85 1252.2814068 14391.7849615 5.88 1262.3349368 14444.5768040 5.91 1272.1274218 14495.7995486 5.94 1281.6582247 14545.6231638 5.97 1290.9309384 14594.1602112 6.00 1299.9581716 14641.3210297 6.03 1308.7475333 14687.1244290 6.06 1317.3080666 14731.5718825 6.09 1325.6453287 14774.7041180 6.12 1333.7659858 14816.5489106 6.15 1341.6785595 14857.1180024 6.18 1349.3913504 14896.4253476 6.21 1356.9079502 14934.5272071 6.24 1364.2343431 14971.4595157 6.27 1371.3764521 15007.2578503 6.30 1378.3402373 15041.9578856 6.33 1385.1317361 15075.5957496 6.36 1391.7644987 15108.7226819 6.39 1398.2518199 15142.0448942 6.42 1404.5811673 15174.6249202 6.45 1410.7549404 15206.4988868 6.48 1416.7755133 15237.7041212 6.51 1422.6453049 15268.2781162 6.54 1428.3667534 15298.2583998 6.57 1433.9422712 15327.6823024 6.60 1439.3743489 15356.5875050 6.63 1444.6654113 15385.0112836 6.66 1449.8179745 15412.9913445 6.69 1454.8345071 15440.5650866 6.72 1459.7174883 15467.7699094 6.75 1464.4694644 15494.6435358 6.78 1469.0929204 15521.2232945 6.81 1473.5904093 15547.5468549 6.84 1477.9644527 15573.6516543 6.87 1482.2175131 15599.5699591 6.90 1486.3210652 15623.3446217 6.93 1490.2891918 15645.5939525 6.96 1494.1380053 15667.1516581 6.99 1497.8704400 15688.0339693 7.02 1501.4895002 15708.2573658 7.05 1504.9981506 15727.8380687 7.08 1508.3993628 15746.7923091 7.11 1511.6961546 15765.1365444 7.14 1514.8915002 15782.8869607 7.17 1517.9884187 15800.0599648 7.20 1520.9899100 15816.6718309 7.23 1523.8989854 15832.7388720 7.26 1526.7186733 15848.2774697 7.29 1529.4519789 15863.3038554 7.32 1532.1019509 15877.8344773 7.35 1534.6715973 15891.8855389 7.38 1537.1639766 15905.4734988 7.41 1539.5840191 15918.6232943 7.44 1541.9840329 15931.5757876 7.47 1544.3140875 15944.1058834 7.50 1546.5769582 15956.2286605 7.53 1548.7747039 15967.9559430 7.56 1550.9093572 15979.2993972 7.59 1552.9829653 15990.2707557 7.62 1554.9975873 16000.8817966 7.65 1556.9552631 16011.1441840 7.68 1558.8580652 16021.0697411 7.71 1560.7080349 16030.6701145 7.74 1562.5072497 16039.9571281 7.77 1564.2577602 16048.9424539 7.80 1565.9616411 16057.6378787 7.83 1567.6209596 16066.0551382 7.86 1569.2377777 16074.2059346 7.89 1570.8141810 16082.1020779 7.92 1572.3522754 16089.7555127 7.95 1573.9103691 16097.5182783 7.98 1575.5088927 16105.5036069 8.01 1577.0648736 16113.2065495 8.04 1578.5793250 16120.6348885 8.07 1580.0530864 16127.7953727 8.10 1581.4870257 16134.6948822 8.13 1582.8819894 16141.3401870 8.16 1584.2388419 16147.7381373 8.19 1585.5584408 16153.8955431 8.22 1586.8416448 16159.8192159 8.25 1588.0893219 16165.5160028 8.28 1589.3023273 16170.9926891 8.31 1590.4815356 16176.2561407 8.34 1591.6278075 16181.3131584 8.37 1592.7420062 16186.1705490 8.40 1593.8250096 16190.8351789 8.43 1594.8776774 16195.3138318 8.46 1595.9010778 16199.6149914 8.49 1596.9342264 16204.0722730 8.52 1597.9533940 16208.4817380 8.55 1598.9476604 16212.7491884 8.58 1599.9174279 16216.8774182 8.61 1600.8631025 16220.8692187 8.64 1601.7850804 16224.7273351 8.67 1602.6837719 16228.4545698 8.70 1603.5595770 16232.0536798 8.73 1604.4128979 16235.5274269 8.76 1605.2441462 16238.8786100 8.79 1606.0537218 16242.1099781 8.82 1606.8420377 16245.2243294 8.85 1607.6094964 16248.2244199 8.88 1608.3565090 16251.1130351 8.91 1609.0834840 16253.8929495 8.94 1609.7908286 16256.5669310 8.97 1610.4789568 16259.1377704 9.00 1611.1482739 16261.6082248 9.10 1613.2487824 16269.1538239 9.15 1614.2271511 16272.5521075 9.20 1615.1601483 16275.7178674 9.25 1616.0496899 16278.6639608 9.30 1616.8976950 16281.4032482 9.35 1617.7060908 16283.9486077 9.40 1618.4768004 16286.3128962 9.45 1619.2117550 16288.5089888 9.50 1619.9128844 16290.5497420 9.55 1620.6222193 16292.7598193 9.60 1621.3417771 16295.1527056 9.65 1622.0316980 16297.4162677 9.70 1622.6928430 16299.5549819 9.75 1623.3260735 16301.5733092 9.80 1623.9322506 16303.4757047 9.85 1624.5122376 16305.2666264 9.90 1625.0669027 16306.9505422 9.95 1625.5971110 16308.5319066 10.00 1626.1037329 16310.0151867 10.05 1626.5876386 16311.4048450 10.10 1627.0496986 16312.7053412 10.15 1627.4907884 16313.9211466 10.20 1627.9117807 16315.0567222 10.25 1628.3135517 16316.1165353 10.30 1628.6969787 16317.1050538 10.35 1629.0629390 16318.0267429 10.40 1629.4123113 16318.8860702 10.45 1629.7459768 16319.6875071 10.50 1630.0648150 16320.4355189 10.55 1630.3697089 16321.1345771 10.60 1630.6751426 16321.8676158 10.65 1630.9959044 16322.7193196 10.70 1631.3046409 16323.5312608 10.75 1631.6016790 16324.3046934 10.80 1631.8873512 16325.0408972 10.85 1632.1619913 16325.7411528 10.90 1632.4259320 16326.4067380 10.95 1632.6795077 16327.0389331 11.00 1632.9230542 16327.6390201 11.05 1633.1569059 16328.2082776 11.10 1633.3813998 16328.7479885 11.15 1633.5968720 16329.2594334 11.20 1633.8036589 16329.7438925 11.25 1634.0020993 16330.2026498 11.30 1634.1925302 16330.6369857 11.35 1634.3752904 16331.0481832 11.40 1634.5507189 16331.4375252 11.45 1634.7191544 16331.8062932 11.50 1634.8809365 16332.1557706 11.55 1635.0364058 16332.4872412 11.60 1635.1859020 16332.8019869 11.65 1635.3323112 16333.1120684 11.70 1635.4862989 16333.4624808 11.75 1635.6351286 16333.7991395 11.80 1635.7789013 16334.1223097 11.85 1635.9177506 16334.4323949 11.90 1636.0518114 16334.7298013 11.95 1636.1812187 16335.0149346 12.00 1636.3061070 16335.2881994 12.20 1636.7631803 16336.2706951 12.30 1636.9681311 16336.7012890 12.40 1637.1588115 16337.0957809 12.50 1637.3363158 16337.4574228 12.60 1637.5017403 16337.7894678 12.70 1637.6561686 16338.0951227 12.80 1637.8137782 16338.4190338 12.90 1637.9619253 16338.7209443 13.00 1638.1009910 16339.0018204 13.10 1638.2313764 16339.2626869 13.20 1638.3534840 16339.5045689 13.30 1638.4677180 16339.7284922 13.40 1638.5744836 16339.9354839 13.50 1638.6741880 16340.1265716 13.60 1638.7672391 16340.3027833 13.70 1638.8540458 16340.4651479 13.80 1638.9393115 16340.6259652 13.90 1639.0257955 16340.7924301 14.00 1639.1078451 16340.9496505 14.10 1639.1856003 16341.0979413 14.20 1639.2592022 16341.2376181 14.30 1639.3287926 16341.3689967 14.40 1639.3945138 16341.4923931 14.50 1639.4565088 16341.6081237 14.60 1639.5149214 16341.7165057 14.70 1639.5698956 16341.8178558 14.80 1639.6215760 16341.9124915 14.90 1639.6701080 16342.0007304 15.00 1639.7156372 16342.0828905