Using Runge Kutta Method for T.I.S.E in Electron Motion Approximation

AI Thread Summary
The discussion focuses on using the Runge-Kutta method to approximate the motion of an electron described by the time-independent Schrödinger equation (T.I.S.E) within a specified potential. The potential has three distinct regions: infinite outside |x|>1, zero between 0.2<|x|<1, and 50 for |x|<0.2. Participants suggest starting with Euler's method to build understanding before tackling Runge-Kutta, especially since the problem involves second-order differential equations. A key point made is that higher-order equations can be converted into a system of first-order equations, allowing the application of the Runge-Kutta method. The exchange of ideas has been beneficial, providing clarity on the approach to solving the problem.
Cinimod
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Homework Statement


I really am desperate for help on this one.
I need to use the runge kutta method to approximate the motion of an electron in the potential below. The T.I.S.E is known, and I have to try and use the runge kutta method to find the wavefunction of the particle.

V(x) = infinity for |x|>1
V(x) = 0 for 0.2<|x|<1
V(x) = 50 for |x|<0.2


Homework Equations


The time independant schrodinger equation.


The Attempt at a Solution


I don't even know where to start. Any form of help would be appreciated. I have found examples of its implementation from google, but all of the websites found only involve first order differential equations.
 
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Cinimod said:

Homework Statement


I really am desperate for help on this one.
I need to use the runge kutta method to approximate the motion of an electron in the potential below. The T.I.S.E is known, and I have to try and use the runge kutta method to find the wavefunction of the particle.

V(x) = infinity for |x|>1
V(x) = 0 for 0.2<|x|<1
V(x) = 50 for |x|<0.2


Homework Equations


The time independant schrodinger equation.


The Attempt at a Solution


I don't even know where to start. Any form of help would be appreciated. I have found examples of its implementation from google, but all of the websites found only involve first order differential equations.
I have made last year a program to solve diff equations, if u want i can send it to u.
But i firts suggest u to start with eulers method than it would be easier to get the runge kutta one.
 
I would be very very grateful to have a look at your program, I will study euler's method, see if that helps. I understand the principle of how the ruger kutta method works, but all the examples I have involve 1st order differential equations, I have a second order, and I'm not sure how you deal with coupled differential equations. If I understood that, then the task wouldn't be any where as difficult.
 
Cinimod said:
I understand the principle of how the ruger kutta method works, but all the examples I have involve 1st order differential equations, I have a second order, and I'm not sure how you deal with coupled differential equations. If I understood that, then the task wouldn't be any where as difficult.

You can reduce higher order diff eqns to a system of first order eqns by an appropriate change of variables. For example, if the equation is,

\psi &#039;&#039; + A(x) \psi = B \psi

set ,

\psi = x1
\psi &#039; = x2

So that, your system of equations is now

x1&#039;=x2
x2&#039; = \left(B-A(x)\right)x1

If,

X = \left(\begin{array}{c}x1 \\ x2\end{array}\right)You need to solve,

\frac{d}{dt} \left(\begin{array}{c}x1 \\ x2\end{array}\right) = \left(\begin{array}{cc} 0&amp;1 \\ B-A(x)&amp;0\end{array}\right) \left( \begin{array}{c}x1 \\ x2\end{array}\right)

If you know the initial values \psi(0) and \psi&#039;(0), you can use any runge kutta method to the above system. The only difference is that, in this case the values of k1,k2,etc in the rk schemes will be matrices.
 
Last edited:
Siddharth. Once again, you have no idea how useful your posts have been. Thank you. That cleared up a lot of problems I had.
 
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