Here is
what I got as result for the preliminary part:
The ground
state energy, n=1, of a finite well with width a = 0.6 Å:
To fit four
bound states in our well it does not have to be deeper than 42∗104=1664eV. In the calculations below I use V0=1500eV. I set V(x)=0 at the top of the well and the bottom is located at −V0 which then gives E1 the new value E1=−1396eV (We should however obtain E1 below, which we don't. See my comment in the comment section).
We solve
the Schrödinger equation and look at the even and odd solutions respectively,
with the center of the well set at x = 0 and to make it less messy I set a2=b.
Even states
are described by:
ϕeven={Deκx,x<−bBcos(kx),|x|<bDe−κxx>b
κ=√2m(−E)ℏ2
k=√2m(E+V0)ℏ2
Fitting
those by making the function and its derivative continuous at the well boundary
gives us the following equation:
√−EE+V0=tan(√2mb2ℏ2(E+V0))
And we can write:
2mb2ℏ2=2∗9.1∗10−31kg∗(0.3∗10−10m)2(1.1∗10−34J∗s)2∗1.6∗10−19=0.02eV−1
(The term 1.6∗10−19 converts the J−1 into eV−1)
And we can write:
2mb2ℏ2=2∗9.1∗10−31kg∗(0.3∗10−10m)2(1.1∗10−34J∗s)2∗1.6∗10−19=0.02eV−1
(The term 1.6∗10−19 converts the J−1 into eV−1)
From here WolframAlpha (P = E in the equation, Wolfram didn't like E) did the job and gave: E3=−733eV.
The odd
states are described by:
ϕodd={−Deκx,x<−bAsin(kx),|x|<bDe−κx,x>b
Which gives
the following equation and energies:
E2=−1152eV, E4=−204eV
The four bound states are: E1=−1396eV, E2=−1152eV, E3=−733eV and E4=−204eV.
The four bound states are: E1=−1396eV, E2=−1152eV, E3=−733eV and E4=−204eV.
If you
want the derivations I can take pictures of my notes and send by email, just
let me know. Also let me know if there are mistakes, questions, anything!
Addendum on calculating numbers: (added 1-20)
For calculating k and kappa, one can multiply through by c to get:
k=√2mc2(E+V0)ℏ2c2
Addendum on calculating numbers: (added 1-20)
For calculating k and kappa, one can multiply through by c to get:
κ=√2mc2(−E)ℏ2c2
where,
mc2=0.511×106 eV
and
ℏc=1970 eV-A
Then I would suggest calcuating A, B and D from integrals where everything is in Angstroms (with A, B and D in Angstrom^{-1/2}. Does that make sense?
Who can calculate the normalization coefficients, A and D, for the highest energy state? I think we will need those for our integrals.
ReplyDeleteI mean, don't try to anything elegant. A direct approach like this should work:
DeleteStart with a particular value of well depth (1500 eV) and width (above). Pick a particular bound state. That state will have with a particular energy (in eV) and particular values of k and kappa, the inverse length scales. Find the ration of A/D the makes things continuous. (I think they will automatically be smooth due to Nellie's work. You can check that.) Then integrate numerically to normalize Psi^2. Two separate integrals, one inside, one outside. Does that make sense? Nothing elegant or general. A specific well to serve as our 1D "atom".
I tried a direct approach, but the numbers seem a bit large to me...
D=3.196×106m−12A=−0.162994D=−44975m−12
I can show my work in a separate reply later.Delete
Those are probably fine. Just express them in Angstrom^{-1/2} instead. What are your k and kappa values?
DeleteReally nice work! This will help get us off to a good start.
ReplyDeleteI am finding that I am a little confused about the energies that result. In terms of labeling, E1 would be the lowest energy (the largest negative number) and E4 would be the highest, i.e., the smallest negative number). Does that make sense? Is there maybe one step too many in calculating these energies? What do other people get?
For the next steps, if we match make Psi continuous at a boundary, then is it also smooth?? (I think that is what is special about the quantized energies. I think they are the only ones where continuity and smoothness can be simultaneously obtained. It is boundary conditions that lead to discreet quantum bound states.)
I updated the result and think it makes sense now?
ReplyDeleteI also added links to WolframAlpha
Looks great. Who will do one approximate normalized wave-function?? Can someone do that for the 1 or 4 state maybe? Actual approximate numbers for k, kappa and the coefficients (B & D) by fooling around with graphing and integration.
ReplyDeleteI have an answer for the E4 constants, though I'm slightly dubious of the answer (I'll post all my work shortly).
Deletek=70.632m−1,κ=28.017m−1
(if these are too large it would likely explain the results for B and D below)
B≈D≈√2k=12m−1/2
I get the possibly strange result that B=D from the boundary condition De−κb=Bcos(kb) . Because b is so small compared to both k and κ, I approximate it as 0, leading both the exponential term and cosine term to go to 1.
The rest comes from normalizing the wave function. Using similar approximations as above (details to follow) I get
bB2+12kD2=1
Let me know if this looks too strange and where I might have gone wrong.
Try recalculating k and kappa using the "hbar c" approach in the addendum added to this post. (No more Joules!)
Deleteusing wolfram this time so the units don't get messed up:
Deletekappa = 7.3 angstroms
k = 18.4 angstroms
the rest to follow very soon.
The numbers keep coming out wrong (smoothness and continuity don't work out). I'm replying to the newest post with some ideas.
DeleteTake a look at the graph that gives the value for E3. This graph is also supposed to give us the value for E1 and we can see that the graph do intersect around -1400eV but WolframAlpha do not display this value. Does anyone now if there is a way to obtain this value?
ReplyDelete