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Chemistry · Glossary

What is Matrix representation, character?

Also known as: matrix representation · character

Definition 4.20 University Chemistry — Year 3 · Chapter 4 — Symmetry and Point Groups

A matrix representation Γ\Gamma of a point group assigns to each operation RR a square matrix D(R)D(R) such that D(R1R2)=D(R1)D(R2)D(R_1R_2) = D(R_1)D(R_2): products of operations become products of matrices. The character χ(R)\chi(R) of RR in Γ\Gamma is the trace of D(R)D(R).

Examples

Example 4.21 (The coordinates of C3vC_{3v})

For C3C_3 about zz, D=(cos⁡120∘−sin⁡120∘0sin⁡120∘cos⁡120∘0001)D = \left(\begin{smallmatrix}\cos120^\circ & -\sin120^\circ & 0\\ \sin120^\circ & \cos120^\circ & 0\\ 0 & 0 & 1\end{smallmatrix}\right), of trace 2cos⁡120∘+1=02\cos120^\circ + 1 = 0; for σv(xz)\sigma_v(xz), D=diag(1,−1,1)D = \mathrm{diag}(1, -1, 1), trace 1; for EE, trace 3. The characters of this representation are (3,0,1)(3, 0, 1) on the classes (E,2C3,3σv)(E, 2C_3, 3\sigma_v). Every matrix is block-diagonal, a 2×22\times2 block for (x,y)(x, y) and a 1×11\times1 block for zz: the representation splits into two smaller ones.

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