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numexercises7_14 [2014/07/14 08:00]
bogner created
numexercises7_14 [2014/07/14 13:34]
bogner
Line 1: Line 1:
 ===== Numerical Exercises for Monday July 14 ===== ===== Numerical Exercises for Monday July 14 =====
  
-  - In your favorite programming languagemake program ​to construct a $NxN$ matrix+  
 +  * In the code {{:​coulomboscrelme.f90.zip|}}you will find subroutine (laguerre_general) that calculates the generalized Laguerre polynomials that appear in the definition of the HO wf's, see {{:​ho_spherical.pdf| here}}. Use this subroutine ​to create a function or subroutine that calculates the HO wf's $R_{nl}(r)$. Note that for large $n,l$ values, the factorial and double factorial functions that appear in $R_{nl}$ lead to overflow if you code them according to their naive expressions. How might you avoid this problem? [Hint: Recall that $Log{(AB\cdots)}=Log{A} + Log{B} + \cdots$].  
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 +   * Check numerically that the constructed HO wf's are orthonormal. I.e., evaluate $\int r^2dr R_{nl}(r)R_{n'​l'​}(r)$. You will want to use Gaussian quadrature to discretize the integrals. Gaussian quadrature is discussed some in {{:​ho_spherical.pdf| }}. While Gauss-Laguerre quadrature is ideal for this problem, plain Gauss-Legendre quadrature, which is widely available in canned routines you can easily find via Google, is sufficient.  
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 +  * Write a function/​subroutine that calculates the matrix elements of the Coulomb potential between an electron and a proton, $\langle nl|V|n'​l\rangle$. Use atomic units ($e=m_e=\hbar=1/​4\pi\epsilon_0$).  
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 +  * Modify your code in the previous step so that it calculates $\langle nl|V|n'​l\rangle$ for any user-supplied potential $V(r)$.  
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 +  * Using the analytical expressions for the kinetic energy matrix elements $\langle nl|T|n'​l\rangle$,​construct ​the hamilton matrix $\langle nl|H|n'​l\rangle$ for the hydrogen atom. Keep HO basis states $n,​n'<​N_{max}$ and diagonalize it. For given $N_{max}value, repeat the calculation at different HO frequencies and plot the ground state energy versus $\omega$ (or the oscillator length scale, defined as $b=\sqrt{\hbar/​(m\omega)$.  
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 +  * Construct the hamilton ​matrix ​$\langle nl|H|n'​l\rangle$ keeping all HO basis states $n,​n'<​N_{max}$. Diagonalize the matrix for increasing $N_{max}$ values for different values of the oscillator length parameter $b$ ("​oscl"​ in the code.) $b$ and $\hbar\omega$ are related by $b = \sqrt{(\hbar/​(m\omega)}$. ​ Plot your lowest eigenvalue for each $N_{max}$ as a function of $b$ (or $\hbar\omega$).  
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 +  * Construct a subroutine that returns relative HO matrix elements of the Minnesota NN potential. The definition of the Minnesota potential and a sketch of how to proceed will be given on the black board.  
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 +Here are  
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numexercises7_14.txt · Last modified: 2014/07/14 13:40 by bogner