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4 to answer the last part of problem 7 16 is not

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Unformatted text preview: 2 6 = + 24 − = ℏ 2 + + 2 + 24 = + = + = 1+ =0 39 = 4 ∴ = + 6 + + 6 5ℏ 13 = + 2 32 6 + 6 + 6 24 24 24 =ℏ 24 2+ 1 39 + 0+ 2 6 24 4 To answer the last part of Problem 7-16, is not included in the trial wavefunction because it is odd; the book solution is incorrect in stating that = 0. However, because it is odd (while and are even) , = = = = 0, and is and/or in any meaningful way. In more mathematically incapable of combining with chemistry-esque terms, can not "hybridize" with and/or , making its inclusion as a basis function essentially pointless. The 2 × 2 determinant can be solved symbolically before plugging the specific elements: − → − − − =0 0= − 0= − + − Solving this expression, with the values determined above for the integrals, in Mathcad gives = 384ℏ + 56 ± 9 ℏ + 21 ℏ 8 57 + 256 / 256 2 All of the constants in the first term are positive; the argu...
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This document was uploaded on 03/18/2014 for the course CHEM 372 at Gustavus.

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