Numerical solution of one dimensional Schrodinger equation

In summary, the individual is seeking help with solving a one dimensional Schrodinger equation for a scattering problem with a potential function of 1/(1+exp(-x)). The energy level is greater than 1 and they have used Numerov's method to integrate it backwards from +∞ with an initial value of 1. They believe their solution is incorrect because the squared wave function is oscillating instead of being constant after the jump in potential. There is a discussion about potential interference and finding a self-consistent solution with coefficients A, B, and C.
  • #1
mojtaba m
2
0
Hi,
I want to solve one dimensional Schrodinger equation for a scattering problem. The potential function is 1/ ( 1+exp(-x) ). So at -∞ it goes to 0 and at ∞ it's 1. The energy level is more than 1. I used Numerov's method and integrated it from +∞ (far enough) backwards with an initial value =1 . But I believe it's wrong b/c squared wave function is oscillating on whole interval and it's supposed to be constant after the jump in potential. I know that I'm doing somewhere wrong in my solution So I would appreciate you if you help me by this or introduce me some sources.
Thanks,
Moji
 
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  • #2
mojtaba m said:
But I believe it's wrong b/c squared wave function is oscillating on whole interval and it's supposed to be constant after the jump in potential.

Sounds like your solution is a linear combination of a particle incoming from the left and a particle incoming from the right. Interference of ##e^{ipx}## and ##e^{-ipx}## terms would produce this oscillating behavior. Maybe you can find two solutions and take a linear combination to eliminate the left-moving component on the right side of the potential jump?
 
  • #3
Actually we have two wave function A exp(ipx) and B exp(−ipx) at far left and one C exp(iqx) at far right. I need to write my program in a way which the coefficients A, B and C been determined self-consistently.
 
  • #4
mojtaba m said:
Actually we have two wave function A exp(ipx) and B exp(−ipx) at far left and one C exp(iqx) at far right.

Right, but the most general solution to the Schrodinger equation also has a D exp(-iqx) component at the far right. Are you doing anything to prevent this component from appearing in your numerical solution?
 

1. What is the Schrodinger equation?

The Schrodinger equation is a fundamental equation in quantum mechanics that describes the time evolution of a quantum system. It is used to calculate the probability of finding a particle at a certain position in space and time.

2. What is the one dimensional Schrodinger equation?

The one dimensional Schrodinger equation is a simplified version of the Schrodinger equation that describes the behavior of a quantum system in one dimension. It is often used to model the behavior of a single particle moving in a potential well.

3. What is the numerical solution of the one dimensional Schrodinger equation?

The numerical solution of the one dimensional Schrodinger equation is a method for solving the equation using a computer. This involves discretizing the equation into smaller, solvable steps and using numerical algorithms to approximate the solution.

4. Why is the numerical solution of the one dimensional Schrodinger equation important?

The numerical solution of the one dimensional Schrodinger equation is important because it allows us to model and understand the behavior of quantum systems in complex potential landscapes. It is also essential in many fields such as quantum chemistry and materials science.

5. What are some challenges in numerically solving the one dimensional Schrodinger equation?

There are several challenges in numerically solving the one dimensional Schrodinger equation, including choosing appropriate numerical methods, dealing with complex potential landscapes, and ensuring accuracy and stability of the solution. Additionally, the computational cost can be high for highly complex systems.

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