The strange history of B functions or how theoretical chemists and mathematicians do not interact - Physics > Chemical PhysicsReport as inadecuate




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Abstract: $B$ functions are a class of relatively complicated exponentially decayingbasis functions.
Since the molecular multicenter integrals of the much simplerSlater-type functions are notoriously difficult, it is not at all obvious why$B$ functions should offer any advantages.
However, $B$ functions have Fouriertransforms of exceptional simplicity, which greatly simplifies many of theirmolecular multicenter integrals.
This article discusses the historicaldevelopment of $B$ functions from the perspective of the interaction betweenmathematics and theoretical chemistry, which traditionally has not been verygood.
Nevertheless, future progress in theoretical chemistry depends very muchon a fertile interaction with neighboring disciplines.



Author: Ernst Joachim Weniger

Source: https://arxiv.org/



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