Normalize function - quantum chemistry

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SUMMARY

The discussion centers on the normalization of the function f(r) = Nexp{-alpha*r}, where alpha is a positive constant and r is a vector. Participants clarify that the argument inside the exponential must be a scalar, suggesting the use of a scalar product such as α·r. This distinction is crucial for correctly applying the normalization process in quantum chemistry, particularly in wavefunctions. The conversation emphasizes the importance of understanding vector versus scalar representations in mathematical expressions.

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kanciara
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Homework Statement
Normalize function f(r) = Nexp{-alpha*r}
Where alpha is positive const and r is a vector
Relevant Equations
f(r)=N*exp{-alpha*r}
Normalize function f(r) = Nexp{-alpha*r}
Where alpha is positive const and r is a vector

I was just wondering if the fact that we have a vector value in our equation changes anything about the solution
 
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kanciara said:
Homework Statement:: Normalize function f(r) = Nexp{-alpha*r}
Where alpha is positive const and r is a vector
Relevant Equations:: f(r)=N*exp{-alpha*r}

Normalize function f(r) = Nexp{-alpha*r}
Where alpha is positive const and r is a vector

I was just wondering if the fact that we have a vector value in our equation changes anything about the solution
Why do you think ##r## is a vector? Make sure you're not confusing vector ##\vec r## with its magnitude ##r##.
 
kanciara said:
Homework Statement:: Normalize function f(r) = Nexp{-alpha*r}
Where alpha is positive const and r is a vector
Relevant Equations:: f(r)=N*exp{-alpha*r}

Normalize function f(r) = Nexp{-alpha*r}
Where alpha is positive const and r is a vector

I was just wondering if the fact that we have a vector value in our equation changes anything about the solution
The argument inside the exponential needs to be a scalar, so it would have to be something like ## \alpha \cdot \textbf{r}##. It should be clear by context. I've seen ##\textbf{k} \cdot \textbf{x}## in a wavefunction but never written with a radial variable.

If it is a scalar product then you will have something like
##\int N e^{ \alpha _r r + \alpha _{ \theta } \theta + \alpha _{ \phi } \phi }## (or some such) which you should be able to separate out and integrate individually.

-Dan
 

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