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Week 9+ material
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CH40208/_toc.yml

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- file: course_contents/week_6
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- file: course_contents/week_7
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- file: course_contents/week_8
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- file: course_contents/week_9
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- caption: Jupyter Notebooks
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chapters:
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- file: notebooks_introduction/what_is_a_jupyter_notebook
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- file: monte_carlo/metropolis_monte_carlo.md
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- file: monte_carlo/the_metropolis_algorithm.md
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- file: monte_carlo/ising_model_simulation.md
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#- file: vectors_and_matrics/working_with_vectors_and_matrices.md
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#- file: comp_chem_methods/vectors_and_matrices
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#sections:
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#- file: comp_chem_methods/vectors
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#- file: comp_chem_methods/vectors_in_python
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#- file: comp_chem_methods/matrices
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#- file: comp_chem_methods/matrices_in_python
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#- file: comp_chem_methods/eigenvalues_and_eigenvectors
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#- file: comp_chem_methods/moments_of_inertia
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- file: vectors_and_matrices/vectors_and_matrices
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sections:
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- file: vectors_and_matrices/vectors
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- file: vectors_and_matrices/vectors_in_python
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- file: vectors_and_matrices/matrices
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- file: vectors_and_matrices/matrices_in_python
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- file: vectors_and_matrices/eigenvalues_and_eigenvectors
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- file: vectors_and_matrices/moments_of_inertia
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- caption: Example Coursework Notebooks
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chapters:
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- file: example_coursework_notebooks/ir_spectra.ipynb

CH40208/course_contents/week_9.md

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# Week 9
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**Vectors and Matrices**
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- [Vectors and Matrices](../vectors_and_matrices/vectors_and_matrices.md)
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- [Vectors](../vectors_and_matrices/vectors.md)
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- [Vectors in Python](../vectors_and_matrices/vectors_in_python.ipynb)
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- [Matrices](../vectors_and_matrices/matrices.md)
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- [Matrices in Python](../vectors_and_matrices/matrices_in_python.ipynb)
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**Extension Material**
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For those of you working with matrix problems for your coursework submission:
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- [Eigenvalues and Eigenvectors](../vectors_and_matrices/eigenvalues_and_eigenvectors.md)
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- [Moments of Inertia](../vectors_and_matrices/moments_of_inertia.md)

CH40208/comp_chem_methods/eigenvalues_and_eigenvectors.md renamed to CH40208/vectors_and_matrices/eigenvalues_and_eigenvectors.md

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Consider the matrix $\mathbf{M}=\begin{bmatrix}2 & 1 \\ 1 & 2\end{bmatrix}$. This gives the linear transformation shown below.
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```{figure} ./figures/vectors_and_matrices/matrix_transformation.svg
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```{figure} ./figures/matrix_transformation.svg
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---
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width: 650px
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name: matrix-transformation-fig
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We can also visualise this transformation by considering the effect on a set of vectors with length $1$ and different directions. Now we see that the effect of the matrix transformation is to transform a unit circle into an ellipse.
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```{figure} ./figures/vectors_and_matrices/matrix_transformation_unit_circle.svg
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```{figure} ./figures/matrix_transformation_unit_circle.svg
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i.e. operating on $\mathbf{v}$ by $\mathbf{M}$ gives the <em>same vector</em> $\mathbf{v}$ back, times a <em>scalar</em>, $s$. This only happens for these two &ldquo;special&rdquo; vectors, which we call the <em>eigenvectors</em> of the matrix $\mathbf{M}$. The scalar values $s$ are the <em>eigenvalues</em> of the matrix $\mathbf{M}$.
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```{figure} ./figures/vectors_and_matrices/ellipse_major_minor_axes_transformation.svg
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```{figure} ./figures/ellipse_major_minor_axes_transformation.svg
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---
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width: 650px
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name: ellipse-major-minor-axes-transformation-fig

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CH40208/comp_chem_methods/figures/vectors_and_matrices/ellipse_major_minor_axes_transformation.svg renamed to CH40208/vectors_and_matrices/figures/ellipse_major_minor_axes_transformation.svg

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