Abstract
AbstractB functions are a class of relatively complicated exponentially decaying basis functions. Because the molecular multicenter integrals of the much simpler Slater‐type functions are notoriously difficult, it is not at all obvious why B functions should offer any advantages. However, B functions have Fourier transforms of exceptional simplicity, which greatly simplifies many of their molecular multicenter integrals. This article discusses the historical development of B functions from the perspective of the interaction between mathematics and theoretical chemistry, which traditionally has not been very good. Nevertheless, future progress in theoretical chemistry depends very much on a fertile interaction with neighboring disciplines. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2009
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