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HCl, 060907; exp vs calc potentials: Agust,www,..../rempi/hcl/HCl,agust07-/HCl-exp vs calc pot-060907akab.ppt Agust,heima,.../REMPI/HCl/HCl,agust07-/HCl-Potentials-060907avhwak.pxp.

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Presentation on theme: "HCl, 060907; exp vs calc potentials: Agust,www,..../rempi/hcl/HCl,agust07-/HCl-exp vs calc pot-060907akab.ppt Agust,heima,.../REMPI/HCl/HCl,agust07-/HCl-Potentials-060907avhwak.pxp."— Presentation transcript:

1 HCl, 060907; exp vs calc potentials: Agust,www,..../rempi/hcl/HCl,agust07-/HCl-exp vs calc pot-060907akab.ppt Agust,heima,.../REMPI/HCl/HCl,agust07-/HCl-Potentials-060907avhwak.pxp http://www.hi.is/~agust/rannsoknir/rempi/hcl/HCl%20pot-080307.ppt

2 Dotted curves = Andras´s calculation 060207: “AQZ HCl-060207.xls”: See: http://www.hi.is/~agust/rannsoknir/rempi/hcl/HCl%20pot-080307.ppthttp://www.hi.is/~agust/rannsoknir/rempi/hcl/HCl%20pot-080307.ppt

3 Dotted curves = Andras´s calculation 060207: “AQZ HCl-060207.xls” E exp F exp V exp

4 E exp F exp V exp E state / exp. Shifted to Shorter internuclear distance

5 NB!: calculated curves have NOT been corrected for zero point energy of the ground state, whereas experimental potentials and energylvels are Plotted relative to the v´´=0 level of the ground state. ERGO: calculated Potentials have to be shifted down by: we´´/2 –wexe´´/4 = 1482,2685 cm-1 After the shift, this is what it looks like:

6 E exp F exp V exp E state / exp. Shifted to Shorter internuclear distance It looks to me as if the blue dotted calculated curve is the E state ( 1  ) which couples strongly to the V 1  state

7 Speculations: Could it be that the red dotted calculated curve is the F 1  state? NB: There is a large uncertainty in the shape and position of the experimenal E curve due to the strong couplings between the V and E States Clearly the V state valculation is no good analogous to what was found for HF


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