Differences

This shows you the differences between two versions of the page.

--- numexercises7_14 [2014/07/14 08:03]
bogner
+++ numexercises7_14 [2014/07/14 13:19]
bogner
@@ Line 1: / Line 1: @@
 ===== Numerical Exercises for Monday July 14 =====
-  - In your favorite programming language, make a program to construct a real $NxN$ matrix. Diagonalize it using the appropriate LAPACK or GSL routine, and write out some number of the lowest eigenvalues.
-  - Use your simple program as an opportunity to play with Git. Try out some of the commands covered in Morten or Nicolas's lecture slides {{:computing.pdf|}} {{:talentdftguides.pdf|}}
+  * In the code {{:coulomboscrelme.f90.zip|}}, you will find a 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 $Log{(AB\cdots)}=Log{A} + Log{B} + \cdots$].
+   * 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.
+  * Next, write a function/subroutine that calculates the matrix elements of the Coulomb potential, $\langle nl|V|n'l\rangle$. Use atomic units ($e=m_e=1$) where $V(r)=1/r$.
+  * 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 $\hbar\omega$).
+  * 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.
+Here are

TalentDFT

User Tools

Site Tools

Differences

Page Tools