Simple question on minimising the trial wavefunction

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Homework Help Overview

The discussion revolves around minimizing a trial wavefunction's energy using variational parameters in a quantum mechanics context. The original poster presents a specific energy function, E_{T}(a,b) = 2a^{2} + 16b^{2}+a, and seeks to determine its minimum value. There are also questions regarding the implications of taking second derivatives in this context.

Discussion Character

  • Exploratory, Conceptual clarification, Mathematical reasoning

Approaches and Questions Raised

  • Participants discuss the process of finding critical points by taking derivatives with respect to the parameters a and b. There is a focus on identifying computational errors and understanding the significance of second derivatives in determining the nature of critical points.

Discussion Status

Some participants have pointed out potential computational errors in the original poster's calculations, leading to a discussion about the correct evaluation of the energy function. Questions remain about the interpretation of the second derivative and its relevance to the problem, indicating an ongoing exploration of these concepts.

Contextual Notes

There is mention of imposed homework rules regarding the use of variational parameters and the requirement to analyze the second derivative, which adds a layer of complexity to the discussion. The original poster expresses uncertainty about the implications of their findings and the next steps in their analysis.

rwooduk
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Homework Statement


After a calculation of the lowest energy using two variational parameters a and b it is found that: [tex]E_{T}(a,b) = 2a^{2} + 16b^{2}+a[/tex]
What is the optimal (minimum) value of [tex]E_{T}[/tex]

Homework Equations


It's just derivation.

The Attempt at a Solution


[tex]\frac{\delta E_{T}}{\delta a} = 4a + 1 = 0[/tex]

therefore a= -1/4

[tex]\frac{\delta E_{T}}{\delta b} = 32b = 0[/tex]

therefore b=0

when the values are put into ET I get zero?

[tex]E_{T}(a',b') = 2 (-\frac{1}{4})^{2} - \frac{1}{4} = 0[/tex]

why would it be zero?

also were were told to take the second derivative to find the inflection? why would we do this? what does it tell us?

Thanks in advance for any help
 
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It is not zero. You did a computational error:

2(1/4)^2 -1/4 = 2/16 - 1/4 = 1/8 -2/8 = -1/8
 
Orodruin said:
It is not zero. You did a computational error:

2(1/4)^2 -1/4 = 2/16 - 1/4 = 1/8 -2/8 = -1/8

hm that would explain it, many thanks for pointing this out, appreciated!

Any idea as to why the second derivative is taken and what it would tell us about the system?

Thanks for the reply!
 
i'm probably being really stupid here but what would I do with something like:

ET (a,b,c) = (a+b)2 - ab + c4

which gives:

dE/da = 2a + b = 0
dE/db = 2b + a = 0

i can see it has solutions but what values should I use?
 

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