780.20: 2082 Session 16
Handouts: printout of deltashell_boundstates.cpp,
LAPACK fortran routine documentation
In this session, we'll consider the bound-state
Schrodinger equation in momentum
space, which takes the form of an integral equation.
Your goals for this session:
- Finish any interesting (to you) parts of Session 15.
- Fill out the SET course evaluation.
- Look at an example of solving an integral equation,
which is a momentum-space bound-state problem,
using fortran library routines (from LAPACK) and the
C++ "new" and "delete" functions
SET's: Course Evaluations
Thank you in advance for your comments,
which are invaluable in planning future versions
of this computational physics course.
Some things I'd appreciate comments on:
- Please comment on the pace: too fast, too slow, not enough
depth? Are the sessions too long?
- Do the background notes work? (Particularly if you actually
got them in advance?)
- Any topics you would omit? Any ones you would spend more time on?
Any topics not covered you think should be covered?
- Do you think I should choose a text to go along with the course,
even if we don't follow it closely? Suggestions?
- Would it be better to introduce C++ classes from the beginning?
- If you had a choice between computational physics courses taught
entirely with Mathematica, entirely with C++, or entirely with Matlab,
which would you choose?
- As always, suggestions for improvements to any aspect of the
course would be appreciated.
Bound States in Momentum Space: Delta-Shell Potential
As discussed in the background notes, the bound-state Schrodinger
equation in momentum space can be solved as a matrix eigenvalue problem.
But because the matrix to be diagonalized is NOT symmetric, we
can't use the (limited) gsl routines. So we'll use LAPACK, a fortran
library, as an exercise in calling fortran routines from C++.
We'll also dynamically allocate the one- and two-dimensional arrays
using "new" and "delete".
The delta-shell potential is a convenient choice for a test potential
because we can find the eigenvalues analytically and it takes a
simple form in momentum space.
It has only one bound state; if we only print out the negative-energy (E<0)
eigenvalues then we should find just one.
See the background notes for additional details.
- What are the units of lambda in the delta-shell potential?
[Note: hbar=1 here.]
- For mu=0.5, b=2.0, and lambda=-1.0, use Mathematica
to find the correct eigenvalue
for the (single) bound state in the delta-shell potential by
using the appropriate equation in the background notes. [Hint: FindRoot]
- Look at deltashell_boundstates.cpp. Compare the prototype
declaration for the fortran routine dgeev to the documentation for
dgeev.f (both are given on printouts). Read the notes in the
documentation at the beginning of the deltashell_boundstates.cpp code.
- Note how all but one of the arrays (the exception is Eigvec_left)
are dynamically allocated and removed using "new" and "delete".
Matrices are allocated using double pointers; note the construction.
However, to pass them to the fortran routine, we've "flattened" them
into single arrays (see how Hmat_passed is formed from Hmat).
- Compile, link, and run deltashell_boundstates.cpp. Look at the
makefile to see what libraries are linked. The "-lg2c" is essential
but easy to overlook. Run with lambda=-1.0 but specify on your own
the number of gauss points to use and the upper bound for the
integrations of momentum. The latter may be much larger than you
would guess because the delta-shell potential is actually rather
poorly behaved in momentum space!
Based on how the potential falls off with k, what do you think is a
reasonable momentum cutoff?
- Run the code
with different numbers of gauss points and different momentum
cutoffs to try to improve the predicted eigenvalue.
Estimate the precision of your best value for the bound-state
How could you improve the numerical accuracy of the calculation?
(For example, would it help to change "job" when calling "gauss"?)
- What does the momentum-space wave-function look like (it is
printed out to a file)?
- Does it fall off at large k? Does it oscillate? Is it well behaved
at the origin? Can you account for its characteristics by some simple
- The analytic wave function in coordinate space is given in
the background notes. Can you calculate the momentum
space wave function from this using Mathematica?
- Is the momentum wave function normalized? What is the
- Bonus: Verify that, regardless of the potential's strength, there
is only a single bound state.
- Bonus: Modify the code to calculate the l=1 bound state.
780.20: 2082 Session 16.
Last modified: 09:22 pm, March 08, 2005.