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2. (a) For the H2 molecule, = c1A+ C2B, that is, apply MO theory through LCAO (linear combination of atomic orbitals) to obtain the energy MO. However, for convenience of calculation here, [ABτd = 0. Leave AHBdr - BHAdr = [JAHAdr [ BHBdr = 1. And find it using the Secular equation variational method that minimizes E. (b) Solve the answer to (a) to find the energies of the bonding orbital and anti - bonding orbital. (c) Using the answers to (a) and (b), find the wavefunction of the two normalized orbitals.

2. (a) For the H2 molecule, = c1A+ C2B, that is, apply MO theory through LCAO (linear combination of atomic orbitals) to obtain the energy MO. However, for convenience of calculation here, [ABτd = 0. Leave AHBdr - BHAdr = [JAHAdr [ BHBdr = 1. And find it using the Secular equation variational method that minimizes E. (b) Solve the answer to (a) to find the energies of the bonding orbital and anti - bonding orbital. (c) Using the answers to (a) and (b), find the wavefunction of the two normalized orbitals.

Chemistry
Chemistry
10th Edition
ISBN:9781305957404
Author:Steven S. Zumdahl, Susan A. Zumdahl, Donald J. DeCoste
Publisher:Steven S. Zumdahl, Susan A. Zumdahl, Donald J. DeCoste
Chapter1: Chemical Foundations
Section: Chapter Questions
Problem 1RQ: Define and explain the differences between the following terms. a. law and theory b. theory and...
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2. (a) For the H2 molecule, = c1A+ C2B, that is, apply MO theory through LCAO (linear combination of atomic orbitals) to obtain the energy MO. However, for convenience of calculation here, [ABτd = 0. Leave AHBdr - BHAdr = [JAHAdr [ BHBdr = 1. And find it using the Secular equation variational method that minimizes E. (b) Solve the answer to (a) to find the energies of the bonding orbital and anti - bonding orbital. (c) Using the answers to (a) and (b), find the wavefunction of the two normalized orbitals.
Transcribed Image Text:2. (a) For the H2 molecule, = c1A+ C2B, that is, apply MO theory through LCAO (linear combination of atomic orbitals) to obtain the energy MO. However, for convenience of calculation here, [ABτd = 0. Leave AHBdr - BHAdr = [JAHAdr [ BHBdr = 1. And find it using the Secular equation variational method that minimizes E. (b) Solve the answer to (a) to find the energies of the bonding orbital and anti - bonding orbital. (c) Using the answers to (a) and (b), find the wavefunction of the two normalized orbitals.
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