Inverse transform sampling for efficient Doppler-averaged spectroscopy simulations
Source abstract
Abstract
We present a thermal velocity sampling method for calculating Doppler-broadened atomic spectra, which more efficiently reaches convergence than regular velocity weighted sampling. The method uses equal-population sampling of the 1D thermal distribution, sampling the “inverse transform” of the cumulative distribution function, and is broadly applicable to normal distributions. We also discuss the efficiency by eliminating velocity classes, which do not significantly contribute to the observed atomic lines, and comment on the application of this method in two- and three-dimensions.
Source: crossref · Quality: baseline
Research context
OpenAlex topics: Atomic and Subatomic Physics Research · Advanced MRI Techniques and Applications · NMR spectroscopy and applications
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
National Institute of Standards and Technology 1 , Boulder, Colorado 80305, USA
ANSYS, Inc. 2 , Boulder, Colorado 80301, USA
References (24)
Show source-provided references
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