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Dynamic polarizability calculations for alkaline earth atoms #52

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kwnminho opened this issue Jul 28, 2020 · 1 comment
Open

Dynamic polarizability calculations for alkaline earth atoms #52

kwnminho opened this issue Jul 28, 2020 · 1 comment

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@kwnminho
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Thank all the developers for improving this calculator. Glad to see this is growing and being more powerful.

Just installed the version 3.0 and I was wondering if it supports dynamic polarizability calculations for divalent atoms.

Say I want to calculate the polarizability of (5s5p) 3P1 state of Strontium88. Can this be done in the current version? In the example notebook, Cesium case was displayed, and DynamicPolarizability function didn't seem to accept individual electron's n and l. Perhaps there's a way to give input for divalent atoms and I'm missing something.

@nikolasibalic
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nikolasibalic commented Jul 28, 2020

Hi @kwnminho

Dynamic polarizability for divalent atoms is currently not fully supported, primarily because for low lying transitions in divalent atoms the semiclassical approximation for calculating d.m.e. is not accurate, and literature values of d.m.e. are scarce (in contrast to alkali atoms, where we use them).

Improving low lying transitions dme accuracy is the next goal for development.

In mid-term we can try compiling existing literature data for d.m.e. in divalent atoms obtained either with more involved theoretical calculations or experientially. There is a place for these values that but needs filling.

More generally, all calculations for divalent atoms so far assume that the second valence electron is in the ground state, hence there is no additional definition of the second electron state in the function headers, except for the total valence electron spin s to select singlet s=0 or triplet s=1 states.

@nikolasibalic nikolasibalic added this to the ver 3.1+ milestone Jul 28, 2020
@nikolasibalic nikolasibalic modified the milestones: ver 3.1+, var 3.2+, ver 3.2 Nov 4, 2021
@nikolasibalic nikolasibalic removed this from the ver 3.2 milestone Aug 24, 2022
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