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From ACF to absorption spectrum #2

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bsch63 opened this issue Jun 1, 2022 · 0 comments

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bsch63 commented Jun 1, 2022 •

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During TDSE (and QCMD) propagations we are calculating autocorrelation functions (ACFs) which are good for two purposes:

Comparison with WavePacket (Matlab/Octave), but only for N not large
Calculate absorption spectrum as (power) Fourier transform of ACF

bsch63 self-assigned this

bsch63 added the enhancement label

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