Tricky integral in QM variational method

In summary, the tricky integral in QM variational method is a challenging integral that arises in the calculation of the variational energy in quantum mechanics. It is important because it determines the accuracy of the final result, and is typically calculated using numerical integration techniques. Some challenges associated with this integral include finding the appropriate integration method and dealing with singularities or complex functions. It is usually not solvable analytically, so numerical methods are used to approximate the solution.
  • #1
akehn
2
0

Homework Statement


Find the variational parameters [itex]\beta[/itex], [itex]\mu[/itex] for a particle in one in one dimension whose group-state wave function is given as:

[itex]\varphi[/itex]([itex]\beta[/itex],[itex]\mu[/itex])=Asin(βx)exp(-[itex]\mu[/itex][itex]x^{2}[/itex]) for x≥0.

The wavefunction is zero for x<0.

Homework Equations


The Hamiltonian is given as:

H=-[itex]\frac{\\hbar^{2}}{2m}[/itex][itex]\frac{d^{2}}{dx^{2}}[/itex]+V(x)

Where the potential field is defined as follows: V(x)=+∞ for x<0
and V(x)=[itex]\frac{-f}{(x+a)^{2}}[/itex] for x≥0

The terms f, a are positive constants.

3. The Attempt at a Solution
I am familiar with the general procedure. I know that

E(β,μ)=<T> + <V>

Where E are the eigen energies and T, V are the kinetic and potential energies, respectively.

To minimize the Hamiltonian one takes partial derivatives of E with respect to β and μ, setting each term equal to zero to determine the variational parameters. This is all straightfoward.

My confusion lies in the evaluation of the normalization coefficient A from <[itex]\varphi[/itex]|[itex]\varphi[/itex]>=1

The closest tabulated integral has "x" in the exponential term, not "x[itex]^{2}[/itex]"

Any help on solving this integral would be greatly appreciated.
 
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  • #2
akehn said:

Homework Statement


Find the variational parameters [itex]\beta[/itex], [itex]\mu[/itex] for a particle in one in one dimension whose group-state wave function is given as:

[itex]\varphi[/itex]([itex]\beta[/itex],[itex]\mu[/itex])=Asin(βx)exp(-[itex]\mu[/itex][itex]x^{2}[/itex]) for x≥0.

The wavefunction is zero for x<0.

Homework Equations


The Hamiltonian is given as:

H=-[itex]\frac{\\hbar^{2}}{2m}[/itex][itex]\frac{d^{2}}{dx^{2}}[/itex]+V(x)

Where the potential field is defined as follows: V(x)=+∞ for x<0
and V(x)=[itex]\frac{-f}{(x+a)^{2}}[/itex] for x≥0

The terms f, a are positive constants.

3. The Attempt at a Solution
I am familiar with the general procedure. I know that

E(β,μ)=<T> + <V>

Where E are the eigen energies and T, V are the kinetic and potential energies, respectively.

To minimize the Hamiltonian one takes partial derivatives of E with respect to β and μ, setting each term equal to zero to determine the variational parameters. This is all straightfoward.

My confusion lies in the evaluation of the normalization coefficient A from <[itex]\varphi[/itex]|[itex]\varphi[/itex]>=1

The closest tabulated integral has "x" in the exponential term, not "x[itex]^{2}[/itex]"

Any help on solving this integral would be greatly appreciated.

Hi akehn, welcome to PF! :smile:

Integrals of the form [itex]\int_0^\infty e^{-x^2}dx[/itex] can be easily computed by first calculating the square of the integral, transforming the problem from one of calculating a one-dimensional integral to one of calculating a two-dimensional integral over a region, since the 2D integral can be done easily by switching to polar coordinates

[tex]\begin{align} \left( \int_0^{\infty} e^{-x^2}dx \right)^2 &= \left( \int_0^{\infty} e^{-x^2}dx \right) \left( \int_0^\infty e^{-x^2}dx \right) \\ &= \left( \int_0^{\infty} e^{-x^2}dx \right)\left( \int_0^\infty e^{-y^2}dy \right) \\ &= \int_0^{\infty} \int_0^{\infty} e^{-(x^2 + y^2)}dxdy \\ &= \int_0^{\infty} \int_0^{\frac{\pi}{2}} e^{-r^2}r dr d\theta \end{align}[/tex]

You can utilize this technique for your integral, by using Euler's formula to write [itex]\sin^2 (\beta x)[/itex] in terms of complex exponentials, then "completing the square on the exponent" and making a substitution to get your integrand in the correct form.
 
Last edited:
  • #3
Ah ha! Thank you very much.
 
  • #4
akehn said:
Ah ha! Thank you very much.

You're welcome! Note that I made a small edit to my post to correct typos, the only one of significance being that the upper limit on the polar angle in the last integral should be [itex]\frac{\pi}{2}[/itex] (90°), not [itex]\frac{\pi}{4}[/itex] (45°).
 
  • #5



Thank you for your question. Solving tricky integrals is a common challenge in quantum mechanics, and it is important to approach them carefully and systematically. The key to solving this integral is to first recognize that it can be simplified by using the trigonometric identity sin^{2}(x) = (1-cos(2x))/2. This will allow you to rewrite the wavefunction as follows:

\varphi(\beta,\mu)=A\frac{1-cos(2\beta x)}{2}exp(-\mu x^{2})

Next, you can use the fact that the integral of an odd function over a symmetric interval is zero to simplify the integral. In this case, the interval is from 0 to infinity, so the integral of cos(2\beta x) will be zero. This means that the normalization coefficient A can be determined by setting the integral of the remaining terms equal to 1.

I hope this helps in solving your integral and completing your homework. Remember to always approach tricky integrals with patience and a systematic approach. Good luck!
 

1. What is the tricky integral in QM variational method?

The tricky integral in QM variational method refers to the integral that arises in the calculation of the variational energy in quantum mechanics. This integral is challenging to solve analytically, and thus numerical methods are often used to approximate the solution.

2. Why is the tricky integral important in QM variational method?

The tricky integral is crucial in QM variational method because it is the key component that determines the accuracy of the variational energy calculation. The better the approximation of this integral, the more accurate the final result will be.

3. How is the tricky integral calculated in QM variational method?

The tricky integral is typically calculated using numerical integration techniques such as Gaussian quadrature or Monte Carlo methods. These methods involve breaking down the integral into smaller, more manageable pieces and then summing them up to approximate the overall integral.

4. What are some challenges associated with the tricky integral in QM variational method?

One of the main challenges with the tricky integral in QM variational method is finding the appropriate integration method that will yield accurate results. Another challenge is dealing with singularities or complex functions that may arise in the integral.

5. Can the tricky integral in QM variational method be solved analytically?

In most cases, the tricky integral in QM variational method cannot be solved analytically. It is because the integral often involves complex functions and is challenging to integrate by hand. Thus, numerical methods are typically used to approximate the solution.

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