Quantum Mechanics Variational Method

In summary, the conversation discusses using a trial wavefunction to approximate the energy of a particle in a box, and the resulting discontinuity in the energy function at certain values of a.
  • #1
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Homework Statement


Consider a particle in a box in the interval [-a,a]. Use the trial wavefunction

ψT = x(a-x2)

to obtain an approximate energy for the first excited state of the box as a function of a.

Homework Equations



Schrodinger equation, Hamiltonian for atomic units is 1/2(d2/dx2)

Normalized energy E = ∫-aaψ*Hψdx/∫-aaψ*ψdx

The Attempt at a Solution



Right, so I just plugged in ψT to the energy equation, and after evaluating the integrals, got E = 1-(3/5)a2 / [a(a2/7-1/15)]. The problem is, this function is discontinuous. It is discontinuous at 0, which makes sense to me, and at a = √(7/15), which I don't understand. I'm pretty sure my integrations were done properly... can anyone either explain this discontinuity to me, or tell me why my set-up was flawed?

Thanks!
 
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  • #2
Okay, I found one error in my integration. The revised function is E = 1-(3/5)a / [a(a^2/7-1/15)]. Still has the same discontinuity problems, though.
 

Related to Quantum Mechanics Variational Method

What is the Quantum Mechanics Variational Method?

The Quantum Mechanics Variational Method is a computational technique used to approximate the energy levels and other properties of quantum mechanical systems. It involves choosing a trial wavefunction and optimizing its parameters to minimize the system's energy.

How does the Variational Method compare to other methods in quantum mechanics?

The Variational Method is considered one of the most accurate methods for solving the Schrödinger equation in quantum mechanics. It usually produces results that are very close to the exact solutions, and it can be applied to a wide range of systems.

What are the advantages of using the Variational Method?

The Variational Method is advantageous because it allows for the calculation of approximate solutions to complex quantum mechanical systems without requiring a lot of computational power. It also allows for the inclusion of important physical effects, such as electron correlation, that may be neglected in simpler methods.

What are the limitations of the Variational Method?

The Variational Method is limited by the choice of trial wavefunction. If the trial wavefunction does not accurately represent the system, the results will not be accurate. It also becomes increasingly difficult to optimize the wavefunction as the number of particles in the system increases.

What are some applications of the Variational Method?

The Variational Method has many applications in physics and chemistry, such as calculating the energy levels and properties of atoms, molecules, and solids. It is also used in quantum field theory to calculate the properties of particles and their interactions.

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