Question: A general harmonic potential function for water is The second line contains off-diagonal force constants, while the first three terms are diagonal. In matrix form,
A general harmonic potential function for water is
The second line contains off-diagonal force constants, while the first three terms are diagonal. In matrix form, this can be expressed as
is the vector whose elements are the internal coordinates. Find the symmetry coordinates S1, S2, and S3 for water, and the block diagonal force constant matrix f which permits the potential energy to be written as ST f S.
V: v ==k ()* + =k () - + =ko(r) + r_rz + Kar + Karr
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