____________________________________________________________________________ | | | QSTARK - Fully diagonalizing fit of Stark shifts in a rotor | | with zero or one quadrupolar nuclei | |____________________________________________________________________________| version 4.X.2017 Zbigniew KISIEL ------------------------------------------------------------------------------ Ar3...HF ------------------------------------------------------------------------------ Calculation for J and F exceeding the value in data by at least 2 The fit will be made to TRANSITION FREQUENCIES 46 Lines read in 35 Lines fitted ---> 2 field free and 33 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 Obs Obs-Calc Calc Field Field**2 -1 +1 -1 +1 1. 4 0 4 3 0 3 8 0 6 0 0.0 9503.94300 -0.00282 9503.9458 0.0000 0.00 2. 4 0 4 3 0 3 8 0 6 0 4009.2 0.00000 -9503.90081-- 9503.9008 148.8749 22163.72 3. 4 0 4 3 0 3 8 2 6 2 4009.2 9503.91650 -0.00190 9503.9184 148.8749 22163.72 4. 4 0 4 3 0 3 8 4 6 4 4009.2 9503.97240 0.00125 9503.9711 148.8749 22163.72 5. 4 0 4 3 0 3 8 6 6 6 4009.2 9504.06300 0.00394 9504.0591 148.8749 22163.72 6. 4 0 4 3 0 3 8 0 6 0 5012.5 0.00000 -9503.87546-- 9503.8755 186.1307 34644.64 7. 4 0 4 3 0 3 8 2 6 2 5012.5 9503.89810 -0.00485 9503.9030 186.1307 34644.64 8. 4 0 4 3 0 3 8 4 6 4 5012.5 9503.98400 -0.00141 9503.9854 186.1307 34644.64 9. 4 0 4 3 0 3 8 6 6 6 5012.5 9504.12380 0.00098 9504.1228 186.1307 34644.64 10. 4 0 4 3 0 3 8 0 6 0 6017.8 9503.84470 0.00029 9503.8444 223.4608 49934.74 11. 4 0 4 3 0 3 8 2 6 2 6017.8 9503.87850 -0.00553 9503.8840 223.4608 49934.74 12. 4 0 4 3 0 3 8 4 6 4 6017.8 9504.00000 -0.00288 9504.0029 223.4608 49934.74 13. 4 0 4 3 0 3 8 6 6 6 6017.8 9504.19690 -0.00404 9504.2009 223.4608 49934.74 14. 4 0 4 3 0 3 8 0 6 0 7009.0 9503.81090 0.00265 9503.8082 260.2674 67739.10 15. 4 0 4 3 0 3 8 2 6 2 7009.0 9503.85930 -0.00270 9503.8620 260.2674 67739.10 16. 4 0 4 3 0 3 8 4 6 4 7009.0 9504.01610 -0.00713 9504.0232 260.2674 67739.10 17. 4 0 4 3 0 3 8 6 6 6 7009.0 9504.29200 0.00010 9504.2919 260.2674 67739.10 18. 4 0 4 3 0 3 8 0 6 0 8006.8 9503.76750 0.00121 9503.7663 297.3190 88398.57 19. 4 0 4 3 0 3 8 2 6 2 8006.8 9503.83470 -0.00174 9503.8364 297.3190 88398.57 20. 4 0 4 3 0 3 8 4 6 4 8006.8 9504.04570 -0.00115 9504.0469 297.3190 88398.57 21. 4 0 4 3 0 3 8 6 6 6 7998.4 9504.38960 -0.00689 9504.3965 297.0071 88213.19 22. 4 0 4 3 0 3 8 0 6 0 9006.3 9503.71500 -0.00366 9503.7187 334.4337 111845.91 23. 4 0 4 3 0 3 8 2 6 2 9006.3 9503.80490 -0.00253 9503.8074 334.4337 111845.91 24. 4 0 4 3 0 3 8 4 6 4 9006.3 0.00000 -9504.07366-- 9504.0737 334.4337 111845.91 25. 4 0 4 3 0 3 8 6 6 6 8997.7 9504.50730 -0.00883 9504.5161 334.1144 111632.41 26. 5 0 5 4 0 4 10 0 8 0 0.0 11878.69860 -0.00140 11878.7000 0.0000 0.00 27. 5 0 5 4 0 4 10 0 8 0 7002.4 0.00000 -11878.63398-- 11878.6340 260.0223 67611.59 28. 5 0 5 4 0 4 10 2 8 2 7002.4 0.00000 -11878.65024-- 11878.6502 260.0223 67611.59 29. 5 0 5 4 0 4 10 4 8 4 7002.4 0.00000 -11878.69902-- 11878.6990 260.0223 67611.59 30. 5 0 5 4 0 4 10 6 8 6 7002.4 11878.77600 -0.00430 11878.7803 260.0223 67611.59 31. 5 0 5 4 0 4 10 8 8 8 7002.4 11878.89400 -0.00009 11878.8941 260.0223 67611.59 32. 5 0 5 4 0 4 10 0 8 0 9010.8 11878.59100 0.00032 11878.5907 334.6008 111957.71 33. 5 0 5 4 0 4 10 2 8 2 9010.8 11878.61540 -0.00221 11878.6176 334.6008 111957.71 34. 5 0 5 4 0 4 10 4 8 4 9010.8 0.00000 -11878.69837-- 11878.6984 334.6008 111957.71 35. 5 0 5 4 0 4 10 6 8 6 9010.8 11878.82910 -0.00387 11878.8330 334.6008 111957.71 36. 5 0 5 4 0 4 10 8 8 8 9010.8 11879.01600 -0.00539 11879.0214 334.6008 111957.71 37. 5 0 5 4 0 4 10 0 8 0 10008.4 11878.56250 -0.00264 11878.5651 371.6450 138120.01 38. 5 0 5 4 0 4 10 2 8 2 10008.4 11878.59710 -0.00125 11878.5984 371.6450 138120.01 39. 5 0 5 4 0 4 10 4 8 4 10008.4 0.00000 -11878.69799-- 11878.6980 371.6450 138120.01 40. 5 0 5 4 0 4 10 6 8 6 10008.4 11878.85750 -0.00655 11878.8640 371.6450 138120.01 41. 5 0 5 4 0 4 10 8 8 8 10008.4 11879.08430 -0.01219-- 11879.0965 371.6450 138120.01 42. 5 0 5 4 0 4 10 0 8 0 11002.6 11878.54150 0.00449 11878.5370 408.5629 166923.68 43. 5 0 5 4 0 4 10 2 8 2 11002.6 11878.57460 -0.00256 11878.5772 408.5629 166923.68 44. 5 0 5 4 0 4 10 4 8 4 11002.6 0.00000 -11878.69758-- 11878.6976 408.5629 166923.68 45. 5 0 5 4 0 4 10 6 8 6 11002.6 11878.89430 -0.00396 11878.8983 408.5629 166923.68 46. 5 0 5 4 0 4 10 8 8 8 11002.6 0.00000 -11879.17917-- 11879.1792 408.5629 166923.68 Standard deviation = 0.003796 ITERATION NO = 1 CONSTANTS, deviations and changes: Mu.a = 1.429121027 +- 0.002431241 -0.006878973 TRANSITIONS (F and MF in units of 1/2): J K K <- J K K F MF<- F MF Volts Obs Obs-Calc Calc Field Field**2 -1 +1 -1 +1 1. 4 0 4 3 0 3 8 0 6 0 0.0 9503.94300 -0.00282 9503.9458 0.0000 0.00 2. 4 0 4 3 0 3 8 0 6 0 4009.2 0.00000 -9503.90124-- 9503.9012 148.8749 22163.72 3. 4 0 4 3 0 3 8 2 6 2 4009.2 9503.91650 -0.00216 9503.9187 148.8749 22163.72 4. 4 0 4 3 0 3 8 4 6 4 4009.2 9503.97240 0.00149 9503.9709 148.8749 22163.72 5. 4 0 4 3 0 3 8 6 6 6 4009.2 9504.06300 0.00502 9504.0580 148.8749 22163.72 6. 4 0 4 3 0 3 8 0 6 0 5012.5 0.00000 -9503.87614-- 9503.8761 186.1307 34644.64 7. 4 0 4 3 0 3 8 2 6 2 5012.5 9503.89810 -0.00526 9503.9034 186.1307 34644.64 8. 4 0 4 3 0 3 8 4 6 4 5012.5 9503.98400 -0.00103 9503.9850 186.1307 34644.64 9. 4 0 4 3 0 3 8 6 6 6 5012.5 9504.12380 0.00267 9504.1211 186.1307 34644.64 10. 4 0 4 3 0 3 8 0 6 0 6017.8 9503.84470 -0.00068 9503.8454 223.4608 49934.74 11. 4 0 4 3 0 3 8 2 6 2 6017.8 9503.87850 -0.00612 9503.8846 223.4608 49934.74 12. 4 0 4 3 0 3 8 4 6 4 6017.8 9504.00000 -0.00234 9504.0023 223.4608 49934.74 13. 4 0 4 3 0 3 8 6 6 6 6017.8 9504.19690 -0.00160 9504.1985 223.4608 49934.74 14. 4 0 4 3 0 3 8 0 6 0 7009.0 9503.81090 0.00134 9503.8096 260.2674 67739.10 15. 4 0 4 3 0 3 8 2 6 2 7009.0 9503.85930 -0.00350 9503.8628 260.2674 67739.10 16. 4 0 4 3 0 3 8 4 6 4 7009.0 9504.01610 -0.00639 9504.0225 260.2674 67739.10 17. 4 0 4 3 0 3 8 6 6 6 7009.0 9504.29200 0.00341 9504.2886 260.2674 67739.10 18. 4 0 4 3 0 3 8 0 6 0 8006.8 9503.76750 -0.00050 9503.7680 297.3190 88398.57 19. 4 0 4 3 0 3 8 2 6 2 8006.8 9503.83470 -0.00278 9503.8375 297.3190 88398.57 20. 4 0 4 3 0 3 8 4 6 4 8006.8 9504.04570 -0.00019 9504.0459 297.3190 88398.57 21. 4 0 4 3 0 3 8 6 6 6 7998.4 9504.38960 -0.00258 9504.3922 297.0071 88213.19 22. 4 0 4 3 0 3 8 0 6 0 9006.3 9503.71500 -0.00583 9503.7208 334.4337 111845.91 23. 4 0 4 3 0 3 8 2 6 2 9006.3 9503.80490 -0.00385 9503.8087 334.4337 111845.91 24. 4 0 4 3 0 3 8 4 6 4 9006.3 0.00000 -9504.07244-- 9504.0724 334.4337 111845.91 25. 4 0 4 3 0 3 8 6 6 6 8997.7 9504.50730 -0.00338 9504.5107 334.1144 111632.41 26. 5 0 5 4 0 4 10 0 8 0 0.0 11878.69860 -0.00140 11878.7000 0.0000 0.00 27. 5 0 5 4 0 4 10 0 8 0 7002.4 0.00000 -11878.63462-- 11878.6346 260.0223 67611.59 28. 5 0 5 4 0 4 10 2 8 2 7002.4 0.00000 -11878.65072-- 11878.6507 260.0223 67611.59 29. 5 0 5 4 0 4 10 4 8 4 7002.4 0.00000 -11878.69902-- 11878.6990 260.0223 67611.59 30. 5 0 5 4 0 4 10 6 8 6 7002.4 11878.77600 -0.00353 11878.7795 260.0223 67611.59 31. 5 0 5 4 0 4 10 8 8 8 7002.4 11878.89400 0.00177 11878.8922 260.0223 67611.59 32. 5 0 5 4 0 4 10 0 8 0 9010.8 11878.59100 -0.00073 11878.5917 334.6008 111957.71 33. 5 0 5 4 0 4 10 2 8 2 9010.8 11878.61540 -0.00299 11878.6184 334.6008 111957.71 34. 5 0 5 4 0 4 10 4 8 4 9010.8 0.00000 -11878.69839-- 11878.6984 334.6008 111957.71 35. 5 0 5 4 0 4 10 6 8 6 9010.8 11878.82910 -0.00260 11878.8317 334.6008 111957.71 36. 5 0 5 4 0 4 10 8 8 8 9010.8 11879.01600 -0.00232 11879.0183 334.6008 111957.71 37. 5 0 5 4 0 4 10 0 8 0 10008.4 11878.56250 -0.00393 11878.5664 371.6450 138120.01 38. 5 0 5 4 0 4 10 2 8 2 10008.4 11878.59710 -0.00223 11878.5993 371.6450 138120.01 39. 5 0 5 4 0 4 10 4 8 4 10008.4 0.00000 -11878.69801-- 11878.6980 371.6450 138120.01 40. 5 0 5 4 0 4 10 6 8 6 10008.4 11878.85750 -0.00498 11878.8625 371.6450 138120.01 41. 5 0 5 4 0 4 10 8 8 8 10008.4 11879.08430 -0.00840-- 11879.0927 371.6450 138120.01 42. 5 0 5 4 0 4 10 0 8 0 11002.6 11878.54150 0.00293 11878.5386 408.5629 166923.68 43. 5 0 5 4 0 4 10 2 8 2 11002.6 11878.57460 -0.00373 11878.5783 408.5629 166923.68 44. 5 0 5 4 0 4 10 4 8 4 11002.6 0.00000 -11878.69760-- 11878.6976 408.5629 166923.68 45. 5 0 5 4 0 4 10 6 8 6 11002.6 11878.89430 -0.00207 11878.8964 408.5629 166923.68 46. 5 0 5 4 0 4 10 8 8 8 11002.6 0.00000 -11879.17459-- 11879.1746 408.5629 166923.68 Standard deviation = 0.003319 ITERATION NO = 2 CONSTANTS, deviations and changes: Mu.a = 1.429104475 +- 0.002136065 -0.000016551 TRANSITIONS (F and MF in units of 1/2): J K K <- J K K F MF<- F MF Volts Obs Obs-Calc Calc Field Field**2 -1 +1 -1 +1 1. 4 0 4 3 0 3 8 0 6 0 0.0 9503.94300 -0.00282 9503.9458 0.0000 0.00 2. 4 0 4 3 0 3 8 0 6 0 4009.2 0.00000 -9503.90124-- 9503.9012 148.8749 22163.72 3. 4 0 4 3 0 3 8 2 6 2 4009.2 9503.91650 -0.00216 9503.9187 148.8749 22163.72 4. 4 0 4 3 0 3 8 4 6 4 4009.2 9503.97240 0.00150 9503.9709 148.8749 22163.72 5. 4 0 4 3 0 3 8 6 6 6 4009.2 9504.06300 0.00503 9504.0580 148.8749 22163.72 6. 4 0 4 3 0 3 8 0 6 0 5012.5 0.00000 -9503.87614-- 9503.8761 186.1307 34644.64 7. 4 0 4 3 0 3 8 2 6 2 5012.5 9503.89810 -0.00526 9503.9034 186.1307 34644.64 8. 4 0 4 3 0 3 8 4 6 4 5012.5 9503.98400 -0.00103 9503.9850 186.1307 34644.64 9. 4 0 4 3 0 3 8 6 6 6 5012.5 9504.12380 0.00267 9504.1211 186.1307 34644.64 10. 4 0 4 3 0 3 8 0 6 0 6017.8 9503.84470 -0.00068 9503.8454 223.4608 49934.74 11. 4 0 4 3 0 3 8 2 6 2 6017.8 9503.87850 -0.00612 9503.8846 223.4608 49934.74 12. 4 0 4 3 0 3 8 4 6 4 6017.8 9504.00000 -0.00234 9504.0023 223.4608 49934.74 13. 4 0 4 3 0 3 8 6 6 6 6017.8 9504.19690 -0.00159 9504.1985 223.4608 49934.74 14. 4 0 4 3 0 3 8 0 6 0 7009.0 9503.81090 0.00133 9503.8096 260.2674 67739.10 15. 4 0 4 3 0 3 8 2 6 2 7009.0 9503.85930 -0.00350 9503.8628 260.2674 67739.10 16. 4 0 4 3 0 3 8 4 6 4 7009.0 9504.01610 -0.00639 9504.0225 260.2674 67739.10 17. 4 0 4 3 0 3 8 6 6 6 7009.0 9504.29200 0.00342 9504.2886 260.2674 67739.10 18. 4 0 4 3 0 3 8 0 6 0 8006.8 9503.76750 -0.00051 9503.7680 297.3190 88398.57 19. 4 0 4 3 0 3 8 2 6 2 8006.8 9503.83470 -0.00278 9503.8375 297.3190 88398.57 20. 4 0 4 3 0 3 8 4 6 4 8006.8 9504.04570 -0.00018 9504.0459 297.3190 88398.57 21. 4 0 4 3 0 3 8 6 6 6 7998.4 9504.38960 -0.00257 9504.3922 297.0071 88213.19 22. 4 0 4 3 0 3 8 0 6 0 9006.3 9503.71500 -0.00584 9503.7208 334.4337 111845.91 23. 4 0 4 3 0 3 8 2 6 2 9006.3 9503.80490 -0.00385 9503.8088 334.4337 111845.91 24. 4 0 4 3 0 3 8 4 6 4 9006.3 0.00000 -9504.07244-- 9504.0724 334.4337 111845.91 25. 4 0 4 3 0 3 8 6 6 6 8997.7 9504.50730 -0.00337 9504.5107 334.1144 111632.41 26. 5 0 5 4 0 4 10 0 8 0 0.0 11878.69860 -0.00140 11878.7000 0.0000 0.00 27. 5 0 5 4 0 4 10 0 8 0 7002.4 0.00000 -11878.63462-- 11878.6346 260.0223 67611.59 28. 5 0 5 4 0 4 10 2 8 2 7002.4 0.00000 -11878.65072-- 11878.6507 260.0223 67611.59 29. 5 0 5 4 0 4 10 4 8 4 7002.4 0.00000 -11878.69902-- 11878.6990 260.0223 67611.59 30. 5 0 5 4 0 4 10 6 8 6 7002.4 11878.77600 -0.00353 11878.7795 260.0223 67611.59 31. 5 0 5 4 0 4 10 8 8 8 7002.4 11878.89400 0.00177 11878.8922 260.0223 67611.59 32. 5 0 5 4 0 4 10 0 8 0 9010.8 11878.59100 -0.00073 11878.5917 334.6008 111957.71 33. 5 0 5 4 0 4 10 2 8 2 9010.8 11878.61540 -0.00300 11878.6184 334.6008 111957.71 34. 5 0 5 4 0 4 10 4 8 4 9010.8 0.00000 -11878.69839-- 11878.6984 334.6008 111957.71 35. 5 0 5 4 0 4 10 6 8 6 9010.8 11878.82910 -0.00260 11878.8317 334.6008 111957.71 36. 5 0 5 4 0 4 10 8 8 8 9010.8 11879.01600 -0.00231 11879.0183 334.6008 111957.71 37. 5 0 5 4 0 4 10 0 8 0 10008.4 11878.56250 -0.00393 11878.5664 371.6450 138120.01 38. 5 0 5 4 0 4 10 2 8 2 10008.4 11878.59710 -0.00223 11878.5993 371.6450 138120.01 39. 5 0 5 4 0 4 10 4 8 4 10008.4 0.00000 -11878.69801-- 11878.6980 371.6450 138120.01 40. 5 0 5 4 0 4 10 6 8 6 10008.4 11878.85750 -0.00497 11878.8625 371.6450 138120.01 41. 5 0 5 4 0 4 10 8 8 8 10008.4 11879.08430 -0.00839-- 11879.0927 371.6450 138120.01 42. 5 0 5 4 0 4 10 0 8 0 11002.6 11878.54150 0.00292 11878.5386 408.5629 166923.68 43. 5 0 5 4 0 4 10 2 8 2 11002.6 11878.57460 -0.00373 11878.5783 408.5629 166923.68 44. 5 0 5 4 0 4 10 4 8 4 11002.6 0.00000 -11878.69760-- 11878.6976 408.5629 166923.68 45. 5 0 5 4 0 4 10 6 8 6 11002.6 11878.89430 -0.00206 11878.8964 408.5629 166923.68 46. 5 0 5 4 0 4 10 8 8 8 11002.6 0.00000 -11879.17458-- 11879.1746 408.5629 166923.68 Standard deviation = 0.003319 ITERATION NO = 3 CONSTANTS, deviations and changes: Mu.a = 1.429104476 +- 0.002136088 0.000000000 FINAL RESULTS OF LEAST SQUARES FITTING PROCEDURE ================================================ FITTED CONSTANTS: A /MHz 850. 1:Xab /MHz 0. B /MHz 1188.2123 1:XJ.a/kHz 0. C /MHz 0. 1:XK.a/kHz 0. DJ /kHz 6.846 1:XJbc/kHz 0. DJK /kHz -5.753 1:Ma /MHz 0. DK /kHz 0. 1:Mb-c/MHz 0. dJ /kHz 0. 1:Tr /MHz 0. dK /kHz 0. 1:Xd /kHz 0. HJ / Hz 0. 1:Xbc /MHz 0. HJK / Hz 0. 1:Xac /MHz 0. HKJ / Hz 0. HK / Hz 0. hJ / Hz 0. hJK / Hz 0. Mu.a /D 1.4291(21) hK / Hz 0. Mu.b /D 0. LKKJ /mHz 0. Mu.c /D 0. 1:Xa /MHz 0. d /cm 26.93 1:Xb-c/MHz 0. k /cm 0. ------------------------------------------------------------------------------