How to use the completeness relation

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Homework Help Overview

The discussion revolves around the completeness relation in the context of molecular quantum mechanics, specifically examining the expectation value of an operator given certain conditions on a function. The original poster presents a problem involving an operator ##\Omega## and its implications on the expectation value ##\left< \Omega \right>## when certain properties of the function are assumed.

Discussion Character

  • Exploratory, Conceptual clarification, Mathematical reasoning

Approaches and Questions Raised

  • Participants explore the relationship between the operator ##\Omega## and the function ##f##, questioning whether ##f## is an eigenfunction of ##\Omega##. There are attempts to express the expectation value in terms of a completeness relation and to relate it to the properties of the eigenfunctions. Some participants express uncertainty about the correct application of bra-ket notation and the completeness relation.

Discussion Status

The discussion is ongoing, with participants providing various approaches to the problem. Some guidance has been offered regarding the use of completeness relations and the expansion of functions in terms of eigenfunctions. However, there is no explicit consensus on the next steps or the correct interpretation of the problem.

Contextual Notes

Participants note the need for specific references from the textbook to clarify notation and equations, indicating a reliance on external resources for understanding the problem context.

Sergio Rodriguez
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Homework Statement


Show that if ##\left( \Omega f\right) ^* = -\Omega f ^* ##
then ##\left< \Omega \right> = 0 ## for any real function f. where ##\Omega## is an operator

Homework Equations


It's a self test of the completeness relation --Molecular quantum mechanics (Atkins)--
so the equation is
$$ \sum_s \left| s \right> \left< s \right| = 1 $$


The Attempt at a Solution



## \left< \Omega \right> = \left<m\left|\Omega\right|n\right>## for any functions ##f_m## and ##f_n##
if ## f_m = f_n = f ##, then ## \left<\Omega\right> = \left<f\left|\Omega\right|f\right>
##
and as f is a real function ## f^* = f##, so:
##\left( \Omega f\right) ^* = -\Omega f ^* = -\Omega f ##
##\left( \Omega f\right) ^* = \Omega^* f^* = \Omega^* f ##
so ##\Omega^* f = -\Omega f ##
##\Omega^* \left|f\right> = -\Omega \left|f\right>##
##\left<f \left| \Omega^* \right|f\right> = - \left< f\left|\Omega \right|f\right>##
 
Last edited:
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Sergio Rodriguez said:
## \left< \Omega \right> = \left<m\left|\Omega\right|n\right>## for any functions ##f_m## and ##f_n##
if ## f_m = f_n = f ##, then ## \left<\Omega\right> = \left<f\left|\Omega\right|f\right>##
That's not correct. The expectation value of an operator ##\langle \Omega \rangle## over a state ##\psi## is always ##\langle \Omega \rangle = \langle \psi | \Omega | \psi \rangle##. There is thus no need to assume ## f_m = f_n = f ##.
Sergio Rodriguez said:
Don't know hot to get in the Bra ket notation and relate it with ##\left<\Omega\right>##
Since you are dealing with a function ##f##, I would approach it using the completeness relation expressed as an integral over a basis set of functions ##\{\phi_n\}##. In any case, the idea is to introduce identity operators that you can then convert using the completeness relation, e.g.,
$$
\langle \psi | \Omega | \psi \rangle = \langle \psi | (1 \times \Omega \times 1) | \psi \rangle = \sum_m\sum_n \langle \psi | m \rangle \langle m | \Omega | n \rangle \langle n | \psi \rangle
$$
 
I have do this:

As I don't know if f is an eigenfunction of Ω, I expand it as ## f = \sum_n c_nf_n## where ##f_n## are orthonormal eigenfunctions of Ω, so:

##\left<Ω\right> = \left<f\left|Ω\right|f\right> = \left<f\left|1*Ω*1\right|f\right> ##
##\sum_m\sum_n \left<f|m\right>\left<m\left|Ω\right|n\right>\left<n|f\right> = \sum_m\sum_n c_n^2 \left<m|m\right>\left<m\left|Ω\right|n\right>\left<n|n\right>##

As ## f_n ## are orthonormal the double sum become a single sum:
##\sum_n c_n^2 \left<n\left|Ω\right|n\right> = \sum_n c_n^2ω_n## where ##ω_n## are the eigenvalues, so ##\left<Ω\right> = \sum_n c_n^2ω_n ##

The second part is:

##(Ωf)^* = -Ωf^* = -Ωf ## as f is a real function
##f(Ωf)^*= -fΩf ##
##\int f(Ωf)^*\,dτ = \int -fΩf\, dτ##
##\sum_n \int c_nf_n(Ωc_nf_n)^*\,dτ = - \sum_n \int c_nf_nΩc_nf_n\, dτ##
##\sum_n c_n^2ω_n^* \int f_nf_n\,dτ = - \sum_n c_n^2ω_n \int f_nf_n\, dτ## And as ##\int f_nf_n\, dτ = 1##
##\sum_n c_n^2ω_n^* = - \sum_n c_n^2ω_n##
And as ##\sum_n c_n^2ω_n = \left<Ω\right>##
##\sum_n c_n^2ω_n^* = - \left<Ω\right>##

But I don't know how to follow it.
 
Last edited:
Could you tell me where in the book this is? I want to explain using the same notation and referring to particular equations.
 
Thank you!

It's the first chapter. Section 1.20 Matrix Elements. Example 1.9, Self-test 1.9, page 33.
 

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