Suppose that a molecular orbital of a heteronuclear diatomic molecule is built from the orbital basis ψA, ψB, and ψC, where ψB and ψC are both on one atom (they can be envisaged as F2s and F2p in HF, for instance). Set up the secular equations for the optimum values of the coefficients and set up the corresponding secular determinant.
Suppose that a molecular orbital of a heteronuclear diatomic molecule is built from the orbital basis ψA, ψB, and ψC, where ψB and ψC are both on one atom (they can be envisaged as F2s and F2p in HF, for instance). Set up the secular equations for the optimum values of the coefficients and set up the corresponding secular determinant.
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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Suppose that a molecular orbital of a heteronuclear diatomic molecule is built from the orbital basis ψA, ψB, and ψC, where ψB and ψC are both on one atom (they can be envisaged as F2s and F2p in HF, for instance). Set up the secular equations for the optimum values of the coefficients and set up the corresponding secular determinant.
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