(Numerical) Boundary Value Problem for Schrodinger's Equation

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Homework Help Overview

The discussion revolves around a numerical boundary value problem related to the Schrödinger equation, specifically focusing on a one-dimensional rectangular potential barrier. The original poster explores the transition from a continuous spectrum problem to a boundary value problem by selecting arbitrary points outside the barrier for numerical analysis.

Discussion Character

  • Exploratory, Assumption checking, Problem interpretation

Approaches and Questions Raised

  • The original poster attempts to derive boundary conditions for the wavefunctions at specified points outside the potential barrier and questions the derivation of these conditions. They also inquire about the applicability of this method in two dimensions.

Discussion Status

Participants are actively discussing the derivation of boundary conditions and exploring references related to the topic. Some have indicated they found alternative approaches for the 2D case, contributing to the ongoing exploration of the problem.

Contextual Notes

There is a mention of a paper that suggests a method for treating the problem as a boundary value problem, which raises questions about the assumptions and definitions involved in the original setup. The original poster expresses uncertainty regarding the relationship between incoming and reflected wave amplitudes in the boundary conditions.

cc94
Messages
19
Reaction score
2

Homework Statement


Suppose we have the standard rectangular potential barrier in 1D, with
$$
V =
\left\{
\!
\begin{aligned}
0 & \,\text{ if } x<0, x>d\\
V_0 & \,\text{ if } x>0,x<d\\
\end{aligned}
\right.
$$

The standard approach to solve for tunneling through the barrier is to match the wavefunctions at the boundaries of the barrier, and solve for the ratio of amplitudes of the outgoing and incoming waves. My issue is that this problem can't be solved numerically, since it is open on the ends, so the spectrum is continuous. Or so I thought, until I found a paper that says that one can turn this problem into a boundary value problem. If you pick some arbitrary $$x_a, x_b$$ to the left and right of the barrier, respectively, then one can use the following equations as boundary conditions to numerically solve the ODE. My first question is, how were these equations derived? And then if it's possible to answer, does this method work in 2D? From simulating some 2D potentials with these boundary conditions, it looks like it works, but I need to know more specifics.

Homework Equations


$$
\left\{
\!
\begin{aligned}
\frac{d\psi}{dx}\Big|_{x=x_a} &+ ik\psi(x_a) = 2ikA\text{exp}(ikx_a),\\
\frac{d\psi}{dx}\Big|_{x=x_b} &- ik\psi(x_b) = 0
\end{aligned}
\right.
$$
where A is amplitude of inc. wave.

The Attempt at a Solution


[/B]
To derive those equations, I'm assuming you follow the same piecewise procedure to match wavefunctions, with the potential being V=0 on both sides. But that doesn't give an answer. Also I don't get why, for example, the first condition only depends on the amplitude of the incoming wave and not the amplitude of the reflected wave, R.
 
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cc94 said:
Or so I thought, until I found a paper that says that one can turn this problem into a boundary value problem.
Reference, please.
 
DrClaude said:
Reference, please.

Sure, google "Quantum scattering theory and stealth finite element analysis", and it's the second result for me.
 
I didn't solve my first question, but I found an approach for the 2D case in the Quantum Transmitting Boundary Model. I'll mark this solved.
 

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