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f3D2 energetics and interaction with V,v´=8 & f3D1 energetics and interaction with V,v´=9 Shifts of levels and peaks(?) agust,www,....january09/PPT-030309ak.ppt
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agust,heima,...january09/Term values for triplet paper-030309kmak.xls f3D2, f / P,R state; i.e. - (see 241208;2) J´(higher)
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E(e) f 3 2, e / O,Q,S state; i.e. + (see 241208;2) E(e))
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f3D2,v´=0DE(f3D2) av. terms 82079,9 82145,1565,24929 82231,2686,11146 82338,08106,8243 82465,63127,5489 82613,74148,1048 J´ 2 3 4 5 6 7 agust, heima,...january09/Term values for triplet paper-190209kmak.xls E J´,J´-1 J´(higher) DE(DE) 20,86217 20,71284 20,72462 20,55592
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5 5 4 34567 34567 V1S+,v´=8+ + + + - - - parities - + + f3D2 (e) (f + )(see 241208;2) To be expected:
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Hence observations are not according to expectations IF anything it seems to be the opposite effect, i.e. the gap between J´= 4 & 5 decreases instead of increses Large fluctuations in DE(DE) are observed suggesting that uncertainty is too large and That insignificant shifts of levels are endeed observed Let´s now see what shifts the W12 values obtained for f3D2 V,v´=8 interaction will correspond to
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agust,heima,...january09/Term values for triplet paper-030309kmak.xls f3D1, f / P,R state; i.e. - (see 241208;2) J´(higher)
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agust,heima,...january09/Term values for triplet paper-030309kmak.xls f3D1, e / O,Q,S state; i.e. + (see 241208;2) J´(higher) E(e) E(e))
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f3D1,v´=1DE(f3D1) av. Terms: 82544,04 82585,4841,44267 82647,2961,80733 82729,8482,54981 82832,47102,6335 82957,29124,8172 83100,74143,4541 J´ 1 2 3 4 5 6 7 agust, heima,...january09/Term values for triplet paper-190209kmak.xls E J´,J´-1 J´(higher) DE(DE) 20,36466 20,74248 20,08369 22,18366 18,6369
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5 5 4 34567 34567 f3D1 (e) (f + )(see 241208;2) V1S+,v´=9 6 6 E(e) E(e)) To be expected: + + + - - - - - + parities
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Hence observations are not according to expectations IF anything it seems to be the opposite effect, i.e. the gap between J´= 5 & 6 increases (see slide 8) instead of decreases Large fluctuations in DE(DE) are observed suggesting that uncertainty is too large and That insignificant shifts of levels are endeed observed NB: according to agust,heima,.... january09/Term values for triplet paper-030309kmak.xls The same seems to hold for the “New State”, i.e. IF anything it seems to be the opposite effect, i.e. the gap between J´= 5 & 6 increases (see slide 12) instead of decreases g3S+(1) V,v´=9 See next pages: agust, heima,...january09/Term values for triplet paper-190209kmak.xls
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5 5 4 34567 34567 g3S+(1) (e) V1S+,v´=9 6 6 E(e) E(e)) To be expected: + + + - - - - - + parities
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i.e. from D(DE) should be about 3.86 ~ 4 From above it looks as is the absolut maximum deviations of DE´s (i.e. D(DE)´s) are Something like: D(DE) f3D2: 0.5 f3D1 1 g3S+(1) 2 If i try using D(DE) = 0.5 I obtain: Now I go back to and calculate corresponding W12´: W12(5)5,48 DE17,48 DE013,61722 DE-DE03,862776 (DE-DE0)/21,931388 agust,heima,...january09/Term values for triplet paper-030309kmak.xls Let´s now see what shifts the W12 values obtained for f3D2 V,v´=8 interaction will correspond to (DE-DE0)max0,5 W122,075452 W12 ca2 agust,heima,...january09/Term values for triplet paper-030309kmak.xls av. Terms DE(f3D2-V f3D2,v´=0abs(DE(f3D2-Vv´=8))from KMW12= C12=0.5+sqr t(DE**2 - 4*W12**2)/( 2*DE) 82225,8 v´=8) av. termsW12max 0.37*(J´(J´+1))1/2 82232,12 82244,75-164,85682079,9164,855582,42775164,90,90631120,99997 82263,67-118,52682145,15118,526159,26303118,71,28171760,999883 82289,14-57,877582231,2657,8775328,9387657,71,65469030,999182 82320,6117,4742682338,0817,474268,73712917,12,026573460,986364 82358,43107,198282465,63107,198253,59912107,49392,397874060,999499 alfa =4,232 beta=1 W12´=0,37 n0,5 shift, de0 f1 abs(35)0,011763242 agust,heima,...january09/f3D2&Vv8-020309ak:
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Exp. Calc. J´ I( 35 Cl + )/I(H 35 Cl + ) Now let´s make a model including the Gateway mechanism.
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Ry0Ry1 V t3S
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Compaired to before
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