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Unformatted text preview: 10-3, that this procedure for H + 2 directly yields an optimal ζ opt = 1 . 238 and the energy listed in Table 10.2. Show also that the virial theorem is satisFed at this value of ζ , without having to work through equations (10.31-10.32). 3. Problem 10-26 McQuarrie, page 553 (this helps explain the LCAO-MO virtual orbital diagram for H 2 , ±ig. 10.28 McQuarrie, page 536). 4. In general, a diatomic molecule does not possess a zero-point rotational energy such as we will Fnd is present in the vibrational degrees of freedom. However, in the case of H 2 (or any other molecule with equivalent H atoms, such as H 2 O), there is an e²ective zero-point rotational energy. Explain why. What about the isotopologues HD and D 2 ? Responsible TA for Problem Set #2: Scarlett Dong ([email protected])...
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This note was uploaded on 01/03/2012 for the course CH 21b taught by Professor List during the Fall '10 term at Caltech.
- Fall '10