____________________________________________________________________________ | | | QSTARK - Fully diagonalizing fit of Stark shifts in a rotor | | with zero or one quadrupolar nuclei | |____________________________________________________________________________| version 27.IX.2000 Zbigniew KISIEL ------------------------------------------------------------------------------ Ar2...H79Br ------------------------------------------------------------------------------ Calculation for J and F exceeding the value in data by at least 1 The fit will be made to FREQUENCY DIFFERENCES 20 Lines read in 20 Lines are to be used in the fit 1 Constants are to be 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. 6 2 4 5 2 3 15 1 13 1 .0 10165.0236 .0000 .0000 10165.0259 .0000 .00 2. 6 2 4 5 2 3 15 5 13 5 4271.7 10165.0314 .0078 -.0008 10165.0345 158.6224 25161.05 3. 6 2 4 5 2 3 15 7 13 7 4271.7 10165.0125 -.0111 -.0060 10165.0209 158.6224 25161.05 4. 6 2 4 5 2 3 15 9 13 9 4271.7 10164.9946 -.0290 -.0056 10165.0026 158.6224 25161.05 5. 6 2 4 5 2 3 15 11 13 11 4271.7 10164.9757 -.0479 -.0015 10164.9795 158.6224 25161.05 6. 6 2 4 5 2 3 15 13 13 13 4271.7 10164.9478 -.0758 -.0014 10164.9515 158.6224 25161.05 7. 6 2 4 5 2 3 15 7 13 7 4723.9 10165.0096 -.0140 -.0080 10165.0199 175.4140 30770.08 8. 6 2 4 5 2 3 15 9 13 9 4723.9 10164.9935 -.0301 -.0018 10164.9977 175.4140 30770.08 9. 6 2 4 5 2 3 15 11 13 11 4723.9 10164.9663 -.0573 -.0009 10164.9695 175.4140 30770.08 10. 6 2 4 5 2 3 15 13 13 13 4723.9 10164.9323 -.0913 -.0005 10164.9352 175.4140 30770.08 11. 6 2 4 5 2 3 15 7 13 7 5025.9 10165.0098 -.0138 -.0072 10165.0193 186.6283 34830.12 12. 6 2 4 5 2 3 15 9 13 9 5025.9 10164.9895 -.0341 -.0023 10164.9942 186.6283 34830.12 13. 6 2 4 5 2 3 15 11 13 11 5025.9 10164.9571 -.0665 -.0029 10164.9623 186.6283 34830.12 !------------------------------------------------------------------------------------------------------------------ 14. 6 4 3 5 4 2 15 1 13 1 .0 9492.1060 .0000 .0000 9492.1057 .0000 .00 15. 6 4 3 5 4 2 15 1 13 1 605.6 9492.0618 -.0442 -.0054 9492.0669 22.4879 505.71 16. 6 4 3 5 4 2 15 3 13 3 605.6 9492.1418 .0358 .0021 9492.1394 22.4879 505.71 17. 6 4 3 5 4 2 15 5 13 5 605.6 9492.2817 .1757 -.0008 9492.2822 22.4879 505.71 18. 6 4 3 5 4 2 15 1 13 1 857.2 9492.0224 -.0836 -.0058 9492.0280 31.8307 1013.19 19. 6 4 3 5 4 2 15 3 13 3 857.2 9492.1703 .0643 -.0023 9492.1723 31.8307 1013.19 20. 6 4 3 5 4 2 15 5 13 5 857.2 9492.4490 .3430 -.0037 9492.4524 31.8307 1013.19 Standard deviation = .003931 ITERATION NO = 1 CONSTANTS, deviations and changes: Mu.a = .709079008 +- .003301425 -.000000992 FINAL RESULTS OF LEAST SQUARES FITTING PROCEDURE ================================================ FITTED CONSTANTS: A /MHz 1731.9589 1:Xab /MHz 0. B /MHz 935.77216 1:XJ.a/kHz 2.47333 C /MHz 604.19297 1:XK.a/kHz 23.53 DJ /kHz 3.564 1:XJbc/kHz 0. DJK /kHz 5.752 1:Ma /MHz 0. DK /kHz 20.93 1:Mb-c/MHz 0. dJ /kHz 1.2658 1:Tr /MHz 0. dK /kHz 9.329000000000001 HJ / Hz 0. HJK / Hz 0. HKJ / Hz 0. HK / Hz 0. hJ / Hz 0. hJK / Hz 0. Mu.a /D .7090(33) hK / Hz 0. Mu.b /D 0. LKKJ /mHz 0. Mu.c /D 0. 1:Xa /MHz 226.67733 d /cm 26.93 1:Xb-c/MHz 16.3364 k /cm 0. 1:X.bb /MHz -105.170465000000 1:X.cc /MHz -121.506865000000 CORRELATION COEFFICIENTS: Mu.a Mu.a 1.0000 ------------------------------------------------------------------------------