(Numerical) Boundary Value Problem for Schrodinger's Equation

In summary, the standard approach to solve for tunneling through a rectangular potential barrier involves matching wavefunctions at the boundaries and solving for the ratio of amplitudes of the outgoing and incoming waves. However, this cannot be solved numerically due to the continuous spectrum. A paper suggests using boundary value equations at arbitrary points outside the barrier, and this method also seems to work in 2D. The first condition only depends on the amplitude of the incoming wave, and a reference for this approach can be found by searching "Quantum scattering theory and stealth finite element analysis".
  • #1
cc94
19
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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  • #2
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.
 
  • #3
DrClaude said:
Reference, please.

Sure, google "Quantum scattering theory and stealth finite element analysis", and it's the second result for me.
 
  • #4
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.
 

What is a Boundary Value Problem for Schrodinger's Equation?

A Boundary Value Problem for Schrodinger's Equation is a mathematical problem that involves finding a solution to the Schrodinger's Equation within a specific set of boundary conditions. In other words, it is a problem where the values of the solution are known at the boundaries of a certain domain and the goal is to find the solution within that domain.

What is the significance of Boundary Value Problems for Schrodinger's Equation?

Boundary Value Problems for Schrodinger's Equation are essential in many fields of physics, including quantum mechanics and quantum chemistry. They allow us to determine the properties of a quantum system with a given potential, as well as predict the behavior of particles in that system.

What are some common techniques for solving Boundary Value Problems for Schrodinger's Equation?

Some common techniques for solving Boundary Value Problems for Schrodinger's Equation include the shooting method, the finite difference method, and the spectral method. These methods involve discretizing the problem and solving it numerically on a computer.

What are some real-world applications of Boundary Value Problems for Schrodinger's Equation?

Boundary Value Problems for Schrodinger's Equation have a wide range of applications in various fields such as quantum mechanics, quantum chemistry, solid-state physics, and material science. They are used to study the behavior of electrons in atoms, molecules, and solids, as well as to understand the properties of semiconductor devices.

What are some challenges in solving Boundary Value Problems for Schrodinger's Equation?

One of the main challenges in solving Boundary Value Problems for Schrodinger's Equation is the complexity of the equation itself. It is a non-linear partial differential equation that requires advanced mathematical techniques and computational resources to solve. Additionally, the choice of boundary conditions can greatly affect the accuracy and stability of the solution.

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