Calculating Energy in a Quantum Chemistry System

Click For Summary
SUMMARY

The discussion centers on calculating the second lowest energy measurement in a quantum chemistry system defined by the wave function Psi(x) = Ax(b/2 - x) for 0 < x < b/2 and Psi(x) = 0 for b/2 < x < b. The user is determining whether to use the box width b or b/2 for energy state calculations. The correct approach involves finding Fourier coefficients by expanding the initial state using the eigenfunctions of the energy operator, specifically sqrt(2/b)*sin(n*pi*x/b), derived from the interval x=0 to x=b.

PREREQUISITES
  • Understanding of quantum mechanics principles, particularly wave functions
  • Familiarity with Fourier series and coefficients
  • Knowledge of energy quantization in quantum systems
  • Proficiency in applying boundary conditions in quantum mechanics
NEXT STEPS
  • Study the derivation of energy eigenvalues for a quantum box using the formula E=n^2*h^2/8mb^2
  • Learn how to calculate Fourier coefficients for piecewise functions
  • Explore the implications of boundary conditions on wave functions in quantum mechanics
  • Investigate the significance of probability distributions in quantum measurements
USEFUL FOR

Quantum chemists, physics students, and researchers involved in quantum mechanics and energy calculations in confined systems.

Knight
Messages
6
Reaction score
0
There is an initial state Psi(x) =Ax(b/2 - x) when 0< x <b/2 and Psi(x) = 0 when b/2 < x <b

I have to find the second lowest value possibly be obtained in a measurement of the energy.

Should I treat this as a box with width b and possible energy states E=n^2*h^2/8mb^2 ? Or should I use the width b/2 ?

Could someone please help me?
 
Physics news on Phys.org
How are you going to incorporate the wave equations?
 
Let me explain this problem better.
What I have to do is calculate the propability that the measured energy from this system is E2
O.K. So I have to find the Fourier coefficients, when I expand the initial state I mentioned above from 0 to b/2 in the eigenfunctions of the energy operator, or sqrt(2/b)*sin(n*pi*x/b). I know these eigenfunctions are derived from x=0 to x=b but Psi(x) =Ax(b/2 - x) is when 0< x <b/2
I am doing this the correct way or am I way off?
 
Last edited:

Similar threads

  • · Replies 0 ·
Replies
0
Views
2K
  • · Replies 6 ·
Replies
6
Views
4K
  • · Replies 2 ·
Replies
2
Views
2K
  • · Replies 1 ·
Replies
1
Views
2K
  • · Replies 9 ·
Replies
9
Views
3K
  • · Replies 4 ·
Replies
4
Views
2K
  • · Replies 4 ·
Replies
4
Views
5K
Replies
9
Views
3K
  • · Replies 5 ·
Replies
5
Views
3K
  • · Replies 7 ·
Replies
7
Views
2K