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Perturbation simulation assuming interactions: V,v´=11 <-> g 3 S - V,v´=10 <-> g 3 S -

Perturbation simulation assuming interactions: V,v´=11 <-> g 3 S - V,v´=10 <-> g 3 S - V,v´=09 <-> g 3 S - Ref.: Agust,www,....rempi/hcl/October08/HClg3S-V8-11-041108ak.ppt Agust,heima,..October08/Term values for triplet paper-041108kmak.xls

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Perturbation simulation assuming interactions: V,v´=11 <-> g 3 S - V,v´=10 <-> g 3 S -

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  1. Perturbation simulation assuming interactions: V,v´=11 <-> g3S-V,v´=10 <-> g3S- V,v´=09 <-> g3S- Ref.: Agust,www,....rempi/hcl/October08/HClg3S-V8-11-041108ak.ppt Agust,heima,..October08/Term values for triplet paper-041108kmak.xls Agust,heima,... kennsla/ArnarH/IGOR/Profun-041108ahak.pxp & Agust,heima,... kennsla/ArnarH/IGOR/Profun-041108ahaka.pxp Agust,heima,... kennsla/ArnarH/IGOR/Profun-041108ahaka.pxp

  2. Deperturbed levels according to D. Field et al. Perturbed levels (<= Green et al.) calculated levels: Using W12(v´=9) =359 cm-1 & W12(v´=10) = 520 cm-1 And W12(v´=11) = 602 cm-1 And equation: Agust,heima,... kennsla/ArnarH/IGOR/Profun-041108ahak.pxp

  3. Deperturbed levels according to D. Field et al. W12(v´=11) = 602 cm-1 W12(v´=10) = 520 cm-1 NB!: Quite large shift of levels due to The v´=11 <-> g3S- interaction W12(v´=9) =359 cm-1 “shifted Levels” Agust,heima,... kennsla/ArnarH/IGOR/Profun-041108ahaka.pxp

  4. Agust,heima,... kennsla/ArnarH/IGOR/Profun-041108ahak.pxp: Least Square W(9) W(10) W(11) 11817.7 266 589 600 5968.42 266 550 600 54.0351 266 450 600 43.8474 281 470 600 19.2466 339 510 600 15.136 339 510 602 14.0797 342 513 602 13.8098 343 514 602 13.3903 345 516 602 12.9533 348 518 602 12.4934 359 520 602

  5. Summary: Reasonably good fit can be obtained to perturbed levels for g3S- by assuming: agust,www,....rempi/hcl/October08/HClg3S-V9V10-031108ak.ppt 1) see:

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