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Issue of radial wavefunction #688

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zhaojingyan3 opened this issue Apr 30, 2024 · 5 comments
Open

Issue of radial wavefunction #688

zhaojingyan3 opened this issue Apr 30, 2024 · 5 comments

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@zhaojingyan3
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For the radial wavefunction,how should I set the range and value of the radius?

@mfgu
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mfgu commented Apr 30, 2024

not sure what you mean. you normally don't need to set these. the default handling is ok for most cases.

@zhaojingyan3
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For example,I need radial wavefunction about two bound states and integrate them accordingly. I need them to have the same radius value.
I don't know if you understand what I mean.

@mfgu
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mfgu commented May 1, 2024

all wavefunctions share the common radial grid in a single calculation.

@zhaojingyan3
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I see.But for different bound states,the range of radial values is different.So when integrating them,I have to abandon the extra values.
So I want to make their radial value ranges consistent.

@mfgu
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mfgu commented May 2, 2024

take the smaller grid of the two. wavefunctions are assumed to be 0 beyond the last radial point.

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