____________________________________________________________________________ | | | QSTARK - Fully diagonalizing fit of Stark shifts in a rotor | | with zero or one quadrupolar nuclei | |____________________________________________________________________________| version 4.X.2017 Zbigniew KISIEL ------------------------------------------------------------------------------ Ar2...HF ------------------------------------------------------------------------------ Calculation for J and F exceeding the value in data by at least 2 The fit will be made to FREQUENCY DIFFERENCES 44 Lines read in 25 Lines fitted ---> 2 field free and 23 at non-zero field 1 Constants fitted TRANSITIONS (F and MF in units of 1/2): J K K <- J K K F MF<-F MF Volts Frequency Stark shift Frequency Field Field**2 -1 +1 -1 +1 Obs Obs Obs-Calc Calc 1. 3 2 2 2 1 1 6 0 4 0 0.0 14209.0673 0.0000 0.0000-- 14209.0715 0.0000 0.00 2. 3 2 2 2 1 1 6 0 4 0 2741.9 14209.1149 0.0476 0.0078 14209.1113 101.8158 10366.46 3. 3 2 2 2 1 1 6 2 4 2 2741.9 14209.0138 -0.0535 -0.0074-- 14209.0253 101.8158 10366.46 4. 3 2 2 2 1 1 6 4 4 4 2741.9 14208.7635 -0.3038 0.0001 14208.7676 101.8158 10366.46 5. 3 2 2 2 1 1 6 0 4 0 4014.6 0.0000******************-- 14209.1568 149.0754 22223.47 6. 3 2 2 2 1 1 6 2 4 2 4014.6 14208.9630 -0.1043 -0.0054-- 14208.9726 149.0754 22223.47 7. 3 2 2 2 1 1 6 4 4 4 4014.6 14208.4203 -0.6470 0.0043 14208.4202 149.0754 22223.47 8. 3 2 2 2 1 1 6 0 4 0 5019.5 14209.2038 0.1365 0.0032 14209.2048 186.3906 34741.47 9. 3 2 2 2 1 1 6 2 4 2 5019.5 14208.9101 -0.1572 -0.0026-- 14208.9168 186.3906 34741.47 10. 3 2 2 2 1 1 6 4 4 4 5019.5 14208.0549 -1.0124 0.0054 14208.0537 186.3906 34741.47 11. 3 2 2 2 1 1 6 0 4 0 6107.6 14209.2666 0.1993 0.0019 14209.2688 226.7954 51436.15 12. 3 2 2 2 1 1 6 2 4 2 6107.6 14208.8341 -0.2332 -0.0043-- 14208.8426 226.7954 51436.15 13. 3 2 2 2 1 1 6 4 4 4 6107.6 14207.5687 -1.4986 0.0078 14207.5651 226.7954 51436.15 !------------------------------------------------------------------------------- 14. 2 2 0 1 1 1 4 0 2 0 0.0 12582.4096 0.0000 0.0000 12582.4123 0.0000 0.00 15. 2 2 0 1 1 1 4 0 2 0 1999.7 12582.2603 -0.1493 -0.0041 12582.2671 74.2555 5513.88 16. 2 2 0 1 1 1 4 2 2 2 1999.7 12582.4476 0.0380 -0.0041-- 12582.4544 74.2555 5513.88 17. 2 2 0 1 1 1 4 0 2 0 3006.3 12582.0780 -0.3316 -0.0035 12582.0842 111.6339 12462.12 18. 2 2 0 1 1 1 4 2 2 2 3006.3 12582.4988 0.0892 -0.0059-- 12582.5075 111.6339 12462.12 19. 2 2 0 1 1 1 4 0 2 0 4013.8 12581.8255 -0.5841 0.0007 12581.8275 149.0457 22214.61 20. 2 2 0 1 1 1 4 2 2 2 4013.8 12582.5727 0.1631 -0.0065-- 12582.5819 149.0457 22214.61 21. 2 2 0 1 1 1 4 0 2 0 5001.3 12581.5033 -0.9063 0.0015 12581.5045 185.7148 34489.99 22. 2 2 0 1 1 1 4 2 2 2 5001.3 12582.6655 0.2559 -0.0075-- 12582.6757 185.7148 34489.99 23. 2 2 0 1 1 1 4 0 2 0 6013.6 12581.0989 -1.3107 0.0014 12581.1002 223.3049 49865.06 24. 2 2 0 1 1 1 4 2 2 2 6013.6 12582.7809 0.3713 -0.0096-- 12582.7932 223.3049 49865.06 25. 2 2 0 1 1 1 4 0 2 0 6107.6 12581.0595 -1.3501 0.0033 12581.0589 226.7954 51436.15 26. 2 2 0 1 1 1 4 2 2 2 6107.6 0.0000******************-- 12582.8052 226.7954 51436.15 27. 2 2 0 1 1 1 4 0 2 0 7015.7 12580.6331 -1.7765 0.0087 12580.6271 260.5162 67868.67 28. 2 2 0 1 1 1 4 2 2 2 7015.7 12582.9164 0.5068 -0.0118-- 12582.9309 260.5162 67868.67 29. 2 2 0 1 1 1 4 0 2 0 8014.1 12580.0821 -2.3275 0.0011 12580.0837 297.5900 88559.84 30. 2 2 0 1 1 1 4 2 2 2 8014.1 12583.0735 0.6639 -0.0130-- 12583.0893 297.5900 88559.84 31. 2 2 0 1 1 1 4 0 2 0 9010.3 12579.4794 -2.9302 0.0120 12579.4701 334.5823 111945.28 32. 2 2 0 1 1 1 4 2 2 2 9010.3 12583.2563 0.8467 -0.0093-- 12583.2684 334.5823 111945.28 33. 2 2 0 1 1 1 4 0 2 0 10019.8 12578.7871 -3.6225 0.0141 12578.7757 372.0683 138434.84 34. 2 2 0 1 1 1 4 2 2 2 10019.8 12583.4528 1.0432 -0.0159-- 12583.4715 372.0683 138434.84 !------------------------------------------------------------------------------- 35. 3 1 3 2 0 2 6 0 4 0 0.0 9141.1095 0.0000 0.0000 9141.1146 0.0000 0.00 36. 3 1 3 2 0 2 6 0 4 0 5001.3 9141.4427 0.3332 0.0013 9141.4465 185.7148 34489.99 37. 3 1 3 2 0 2 6 2 4 2 5001.3 9141.8175 0.7080 0.0084-- 9141.8142 185.7148 34489.99 38. 3 1 3 2 0 2 6 4 4 4 5001.3 9142.9145 1.8050 0.0031 9142.9165 185.7148 34489.99 39. 3 1 3 2 0 2 6 0 4 0 7015.9 9141.7631 0.6536 0.0012 9141.7670 260.5236 67872.54 40. 3 1 3 2 0 2 6 2 4 2 7015.9 9142.4919 1.3824 0.0060-- 9142.4910 260.5236 67872.54 41. 3 1 3 2 0 2 6 4 4 4 7015.9 9144.6456 3.5361 -0.0087 9144.6594 260.5236 67872.54 42. 3 1 3 2 0 2 6 0 4 0 9016.5 9142.1854 1.0759 -0.0001 9142.1906 334.8125 112099.39 43. 3 1 3 2 0 2 6 2 4 2 9016.5 0.0000******************-- 9143.3870 334.8125 112099.39 44. 3 1 3 2 0 2 6 4 4 4 9016.5 9146.9347 5.8252 -0.0268 9146.9666 334.8125 112099.39 Standard deviation = 0.007780 ITERATION NO = 1 CONSTANTS, deviations and changes: Mu.b = 1.399202106 +- 0.000572468 -0.002397894 TRANSITIONS (F and MF in units of 1/2): J K K <- J K K F MF<-F MF Volts Frequency Stark shift Frequency Field Field**2 -1 +1 -1 +1 Obs Obs Obs-Calc Calc 1. 3 2 2 2 1 1 6 0 4 0 0.0 14209.0673 0.0000 0.0000-- 14209.0715 0.0000 0.00 2. 3 2 2 2 1 1 6 0 4 0 2741.9 14209.1149 0.0476 0.0080 14209.1111 101.8158 10366.46 3. 3 2 2 2 1 1 6 2 4 2 2741.9 14209.0138 -0.0535 -0.0075-- 14209.0255 101.8158 10366.46 4. 3 2 2 2 1 1 6 4 4 4 2741.9 14208.7635 -0.3038 -0.0010 14208.7686 101.8158 10366.46 5. 3 2 2 2 1 1 6 0 4 0 4014.6 0.0000******************-- 14209.1565 149.0754 22223.47 6. 3 2 2 2 1 1 6 2 4 2 4014.6 14208.9630 -0.1043 -0.0057-- 14208.9729 149.0754 22223.47 7. 3 2 2 2 1 1 6 4 4 4 4014.6 14208.4203 -0.6470 0.0020 14208.4224 149.0754 22223.47 8. 3 2 2 2 1 1 6 0 4 0 5019.5 14209.2038 0.1365 0.0036 14209.2043 186.3906 34741.47 9. 3 2 2 2 1 1 6 2 4 2 5019.5 14208.9101 -0.1572 -0.0031-- 14208.9174 186.3906 34741.47 10. 3 2 2 2 1 1 6 4 4 4 5019.5 14208.0549 -1.0124 0.0019 14208.0571 186.3906 34741.47 11. 3 2 2 2 1 1 6 0 4 0 6107.6 14209.2666 0.1993 0.0026 14209.2682 226.7954 51436.15 12. 3 2 2 2 1 1 6 2 4 2 6107.6 14208.8341 -0.2332 -0.0051-- 14208.8433 226.7954 51436.15 13. 3 2 2 2 1 1 6 4 4 4 6107.6 14207.5687 -1.4986 0.0026 14207.5703 226.7954 51436.15 !------------------------------------------------------------------------------- 14. 2 2 0 1 1 1 4 0 2 0 0.0 12582.4096 0.0000 0.0000 12582.4123 0.0000 0.00 15. 2 2 0 1 1 1 4 0 2 0 1999.7 12582.2603 -0.1493 -0.0046 12582.2676 74.2555 5513.88 16. 2 2 0 1 1 1 4 2 2 2 1999.7 12582.4476 0.0380 -0.0039-- 12582.4543 74.2555 5513.88 17. 2 2 0 1 1 1 4 0 2 0 3006.3 12582.0780 -0.3316 -0.0046 12582.0853 111.6339 12462.12 18. 2 2 0 1 1 1 4 2 2 2 3006.3 12582.4988 0.0892 -0.0056-- 12582.5071 111.6339 12462.12 19. 2 2 0 1 1 1 4 0 2 0 4013.8 12581.8255 -0.5841 -0.0013 12581.8295 149.0457 22214.61 20. 2 2 0 1 1 1 4 2 2 2 4013.8 12582.5727 0.1631 -0.0059-- 12582.5813 149.0457 22214.61 21. 2 2 0 1 1 1 4 0 2 0 5001.3 12581.5033 -0.9063 -0.0016 12581.5076 185.7148 34489.99 22. 2 2 0 1 1 1 4 2 2 2 5001.3 12582.6655 0.2559 -0.0066-- 12582.6748 185.7148 34489.99 23. 2 2 0 1 1 1 4 0 2 0 6013.6 12581.0989 -1.3107 -0.0031 12581.1047 223.3049 49865.06 24. 2 2 0 1 1 1 4 2 2 2 6013.6 12582.7809 0.3713 -0.0083-- 12582.7919 223.3049 49865.06 25. 2 2 0 1 1 1 4 0 2 0 6107.6 12581.0595 -1.3501 -0.0013 12581.0636 226.7954 51436.15 26. 2 2 0 1 1 1 4 2 2 2 6107.6 0.0000******************-- 12582.8039 226.7954 51436.15 27. 2 2 0 1 1 1 4 0 2 0 7015.7 12580.6331 -1.7765 0.0026 12580.6332 260.5162 67868.67 28. 2 2 0 1 1 1 4 2 2 2 7015.7 12582.9164 0.5068 -0.0100-- 12582.9291 260.5162 67868.67 29. 2 2 0 1 1 1 4 0 2 0 8014.1 12580.0821 -2.3275 -0.0069 12580.0917 297.5900 88559.84 30. 2 2 0 1 1 1 4 2 2 2 8014.1 12583.0735 0.6639 -0.0107-- 12583.0869 297.5900 88559.84 31. 2 2 0 1 1 1 4 0 2 0 9010.3 12579.4794 -2.9302 0.0020 12579.4802 334.5823 111945.28 32. 2 2 0 1 1 1 4 2 2 2 9010.3 12583.2563 0.8467 -0.0064-- 12583.2654 334.5823 111945.28 33. 2 2 0 1 1 1 4 0 2 0 10019.8 12578.7871 -3.6225 0.0017 12578.7881 372.0683 138434.84 34. 2 2 0 1 1 1 4 2 2 2 10019.8 12583.4528 1.0432 -0.0123-- 12583.4678 372.0683 138434.84 !------------------------------------------------------------------------------- 35. 3 1 3 2 0 2 6 0 4 0 0.0 9141.1095 0.0000 0.0000 9141.1146 0.0000 0.00 36. 3 1 3 2 0 2 6 0 4 0 5001.3 9141.4427 0.3332 0.0025 9141.4453 185.7148 34489.99 37. 3 1 3 2 0 2 6 2 4 2 5001.3 9141.8175 0.7080 0.0108-- 9141.8118 185.7148 34489.99 38. 3 1 3 2 0 2 6 4 4 4 5001.3 9142.9145 1.8050 0.0092 9142.9104 185.7148 34489.99 39. 3 1 3 2 0 2 6 0 4 0 7015.9 9141.7631 0.6536 0.0034 9141.7648 260.5236 67872.54 40. 3 1 3 2 0 2 6 2 4 2 7015.9 9142.4919 1.3824 0.0107-- 9142.4863 260.5236 67872.54 41. 3 1 3 2 0 2 6 4 4 4 7015.9 9144.6456 3.5361 0.0034 9144.6473 260.5236 67872.54 42. 3 1 3 2 0 2 6 0 4 0 9016.5 9142.1854 1.0759 0.0036 9142.1869 334.8125 112099.39 43. 3 1 3 2 0 2 6 2 4 2 9016.5 0.0000******************-- 9143.3792 334.8125 112099.39 44. 3 1 3 2 0 2 6 4 4 4 9016.5 9146.9347 5.8252 -0.0068 9146.9466 334.8125 112099.39 Standard deviation = 0.004035 ITERATION NO = 2 CONSTANTS, deviations and changes: Mu.b = 1.399200062 +- 0.000297391 -0.000002044 TRANSITIONS (F and MF in units of 1/2): J K K <- J K K F MF<-F MF Volts Frequency Stark shift Frequency Field Field**2 -1 +1 -1 +1 Obs Obs Obs-Calc Calc 1. 3 2 2 2 1 1 6 0 4 0 0.0 14209.0673 0.0000 0.0000-- 14209.0715 0.0000 0.00 2. 3 2 2 2 1 1 6 0 4 0 2741.9 14209.1149 0.0476 0.0080 14209.1111 101.8158 10366.46 3. 3 2 2 2 1 1 6 2 4 2 2741.9 14209.0138 -0.0535 -0.0075-- 14209.0255 101.8158 10366.46 4. 3 2 2 2 1 1 6 4 4 4 2741.9 14208.7635 -0.3038 -0.0010 14208.7687 101.8158 10366.46 5. 3 2 2 2 1 1 6 0 4 0 4014.6 0.0000******************-- 14209.1565 149.0754 22223.47 6. 3 2 2 2 1 1 6 2 4 2 4014.6 14208.9630 -0.1043 -0.0057-- 14208.9729 149.0754 22223.47 7. 3 2 2 2 1 1 6 4 4 4 4014.6 14208.4203 -0.6470 0.0020 14208.4225 149.0754 22223.47 8. 3 2 2 2 1 1 6 0 4 0 5019.5 14209.2038 0.1365 0.0036 14209.2043 186.3906 34741.47 9. 3 2 2 2 1 1 6 2 4 2 5019.5 14208.9101 -0.1572 -0.0031-- 14208.9174 186.3906 34741.47 10. 3 2 2 2 1 1 6 4 4 4 5019.5 14208.0549 -1.0124 0.0019 14208.0571 186.3906 34741.47 11. 3 2 2 2 1 1 6 0 4 0 6107.6 14209.2666 0.1993 0.0026 14209.2682 226.7954 51436.15 12. 3 2 2 2 1 1 6 2 4 2 6107.6 14208.8341 -0.2332 -0.0051-- 14208.8433 226.7954 51436.15 13. 3 2 2 2 1 1 6 4 4 4 6107.6 14207.5687 -1.4986 0.0026 14207.5703 226.7954 51436.15 !------------------------------------------------------------------------------- 14. 2 2 0 1 1 1 4 0 2 0 0.0 12582.4096 0.0000 0.0000 12582.4123 0.0000 0.00 15. 2 2 0 1 1 1 4 0 2 0 1999.7 12582.2603 -0.1493 -0.0046 12582.2676 74.2555 5513.88 16. 2 2 0 1 1 1 4 2 2 2 1999.7 12582.4476 0.0380 -0.0039-- 12582.4543 74.2555 5513.88 17. 2 2 0 1 1 1 4 0 2 0 3006.3 12582.0780 -0.3316 -0.0046 12582.0853 111.6339 12462.12 18. 2 2 0 1 1 1 4 2 2 2 3006.3 12582.4988 0.0892 -0.0056-- 12582.5071 111.6339 12462.12 19. 2 2 0 1 1 1 4 0 2 0 4013.8 12581.8255 -0.5841 -0.0013 12581.8295 149.0457 22214.61 20. 2 2 0 1 1 1 4 2 2 2 4013.8 12582.5727 0.1631 -0.0059-- 12582.5813 149.0457 22214.61 21. 2 2 0 1 1 1 4 0 2 0 5001.3 12581.5033 -0.9063 -0.0016 12581.5076 185.7148 34489.99 22. 2 2 0 1 1 1 4 2 2 2 5001.3 12582.6655 0.2559 -0.0066-- 12582.6748 185.7148 34489.99 23. 2 2 0 1 1 1 4 0 2 0 6013.6 12581.0989 -1.3107 -0.0031 12581.1047 223.3049 49865.06 24. 2 2 0 1 1 1 4 2 2 2 6013.6 12582.7809 0.3713 -0.0083-- 12582.7919 223.3049 49865.06 25. 2 2 0 1 1 1 4 0 2 0 6107.6 12581.0595 -1.3501 -0.0013 12581.0636 226.7954 51436.15 26. 2 2 0 1 1 1 4 2 2 2 6107.6 0.0000******************-- 12582.8039 226.7954 51436.15 27. 2 2 0 1 1 1 4 0 2 0 7015.7 12580.6331 -1.7765 0.0026 12580.6332 260.5162 67868.67 28. 2 2 0 1 1 1 4 2 2 2 7015.7 12582.9164 0.5068 -0.0100-- 12582.9291 260.5162 67868.67 29. 2 2 0 1 1 1 4 0 2 0 8014.1 12580.0821 -2.3275 -0.0069 12580.0917 297.5900 88559.84 30. 2 2 0 1 1 1 4 2 2 2 8014.1 12583.0735 0.6639 -0.0107-- 12583.0869 297.5900 88559.84 31. 2 2 0 1 1 1 4 0 2 0 9010.3 12579.4794 -2.9302 0.0020 12579.4802 334.5823 111945.28 32. 2 2 0 1 1 1 4 2 2 2 9010.3 12583.2563 0.8467 -0.0064-- 12583.2654 334.5823 111945.28 33. 2 2 0 1 1 1 4 0 2 0 10019.8 12578.7871 -3.6225 0.0017 12578.7881 372.0683 138434.84 34. 2 2 0 1 1 1 4 2 2 2 10019.8 12583.4528 1.0432 -0.0123-- 12583.4678 372.0683 138434.84 !------------------------------------------------------------------------------- 35. 3 1 3 2 0 2 6 0 4 0 0.0 9141.1095 0.0000 0.0000 9141.1146 0.0000 0.00 36. 3 1 3 2 0 2 6 0 4 0 5001.3 9141.4427 0.3332 0.0025 9141.4453 185.7148 34489.99 37. 3 1 3 2 0 2 6 2 4 2 5001.3 9141.8175 0.7080 0.0108-- 9141.8118 185.7148 34489.99 38. 3 1 3 2 0 2 6 4 4 4 5001.3 9142.9145 1.8050 0.0092 9142.9104 185.7148 34489.99 39. 3 1 3 2 0 2 6 0 4 0 7015.9 9141.7631 0.6536 0.0034 9141.7648 260.5236 67872.54 40. 3 1 3 2 0 2 6 2 4 2 7015.9 9142.4919 1.3824 0.0107-- 9142.4863 260.5236 67872.54 41. 3 1 3 2 0 2 6 4 4 4 7015.9 9144.6456 3.5361 0.0034 9144.6473 260.5236 67872.54 42. 3 1 3 2 0 2 6 0 4 0 9016.5 9142.1854 1.0759 0.0036 9142.1869 334.8125 112099.39 43. 3 1 3 2 0 2 6 2 4 2 9016.5 0.0000******************-- 9143.3792 334.8125 112099.39 44. 3 1 3 2 0 2 6 4 4 4 9016.5 9146.9347 5.8252 -0.0068 9146.9466 334.8125 112099.39 Standard deviation = 0.004035 ITERATION NO = 3 CONSTANTS, deviations and changes: Mu.b = 1.399200062 +- 0.000297391 0.000000000 FINAL RESULTS OF LEAST SQUARES FITTING PROCEDURE ================================================ FITTED CONSTANTS: A /MHz 3576.47355 1:Xab /MHz 0. B /MHz 1739.19327 1:XJ.a/kHz 0. C /MHz 1160.93126 1:XK.a/kHz 0. DJ /kHz 16.9922 1:XJbc/kHz 0. DJK /kHz -0.0494 1:Ma /MHz 0. DK /kHz 116.881 1:Mb-c/MHz 0. dJ /kHz 5.98093 1:Tr /MHz 0. dK /kHz 38.3629 1:Xd /kHz 0. HJ / Hz -0.217 1:Xbc /MHz 0. HJK / Hz 9.78 1:Xac /MHz 0. HKJ / Hz -60.84 HK / Hz 66.91 hJ / Hz 0. hJK / Hz 0. Mu.a /D 0. hK / Hz 0. Mu.b /D 1.39920(29) LKKJ /mHz 0. Mu.c /D 0. 1:Xa /MHz 0. d /cm 26.93 1:Xb-c/MHz 0. k /cm 0. ------------------------------------------------------------------------------