Recent content by Jan Wo

I forgot to write electron density definition. Sorry about that.When I mentioned about electron density and I meant about the function with electron charge as a value in selected point(argument) of space (it is used for example in x-ray spectroscopy or in DFT studies). If we ignore spin the...

Hello Lastly I was thinking a lot about electron density definition. It is not intuitive for me and I'm looking for any mathematical tool that could explain it to me more. My friend told me about idea to derivate it from propability density function using Dirac delta distribution. I'd like to...

Ok, thank you for answer. I think this ##\rho(r)## should be ##\rho(r_1)## Can you tell me how it works mathematically? I need to have a function of position, I know that I can't to integrate every position (then it would be only a number). But how exactly it looks. Let's consider simple...

Hi I'd like to ask you about interpretation of electron density definition. According to the "Handbook of Molecular Physics and Quantum Chemistry" it goes like: ##\rho (\textbf{r})=N \sum_{\sigma_1}^{\sigma_N} \idotsint_{\mathbb{R^3}} |\psi_V (\textbf{r}_1, \sigma_1;\dots...