1 / 18

Study on Energetics and Interaction Shifts in Molecular States

Analysis of energy levels and interactions in molecular states to understand observed deviations from expectations.

rroberta
Download Presentation

Study on Energetics and Interaction Shifts in Molecular States

An Image/Link below is provided (as is) to download presentation Download Policy: Content on the Website is provided to you AS IS for your information and personal use and may not be sold / licensed / shared on other websites without getting consent from its author. Content is provided to you AS IS for your information and personal use only. Download presentation by click this link. While downloading, if for some reason you are not able to download a presentation, the publisher may have deleted the file from their server. During download, if you can't get a presentation, the file might be deleted by the publisher.

E N D

Presentation Transcript

  1. 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

  2. f3D2, f / P,R state; i.e. D- (see 241208;2) J´(higher) J´(higher) agust,heima,...january09/Term values for triplet paper-030309kmak.xls

  3. f3D2, e / O,Q,S state; i.e. D+ (see 241208;2) DE(DE(e)) DE(e) DE(DE(e))

  4. DE J´,J´-1 J´(higher) agust, heima, ...january09/Term values for triplet paper-190209kmak.xls

  5. To be expected: - f3D2 (e) (f D+)(see 241208;2) + + V1S+,v´=8 + 5 - 3 4 5 6 7 - 5 + 4 + - + parities 3 4 5 6 7

  6. 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

  7. f3D1, f / P,R state; i.e. D- (see 241208;2) J´(higher) J´(higher) agust,heima,...january09/Term values for triplet paper-030309kmak.xls

  8. f3D1, e / O,Q,S state; i.e. D+ (see 241208;2) DE(DE(e)) DE(e) DE(DE(e)) J´(higher) J´(higher) agust,heima,...january09/Term values for triplet paper-030309kmak.xls

  9. DE J´,J´-1 J´(higher) agust, heima, ...january09/Term values for triplet paper-190209kmak.xls

  10. To be expected: - DE(e) f3D1 (e) (fD+)(see 241208;2) V1S+,v´=9 - + 6 6 + - 5 5 - 3 4 5 6 7 4 + DE(DE(e)) - + parities 3 4 5 6 7

  11. 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

  12. agust, heima, ...january09/Term values for triplet paper-190209kmak.xls

  13. To be expected: - DE(e) g3S+(1) (e) V1S+,v´=9 - + 6 6 + - 5 5 - 3 4 5 6 7 4 + DE(DE(e)) - + parities 3 4 5 6 7

  14. Let´s now see what shifts the W12 values obtained for f3D2 <-> V,v´=8 interaction will correspond to agust,heima,...january09/Term values for triplet paper-030309kmak.xls • 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´: agust,heima,...january09/Term values for triplet paper-030309kmak.xls agust,heima,...january09/f3D2&Vv8-020309ak:

  15. Exp. I(35Cl+)/I(H35Cl+) Calc. J´ Now let´s make a model including the Gateway mechanism.

  16. Ry1 Ry0 V t3S

  17. Compaired to before

More Related