The strange history of B functions or how theoretical chemists and mathematicians do (not) interact TeX Export

@article{citeulike:3641690, abstract = {\$B\$ functions are a class of relatively complicated exponentially decaying basis functions. Since 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.}, archivePrefix = {arXiv}, author = {Weniger, Ernst J.}, citeulike-article-id = {3641690}, citeulike-linkout-0 = {http://arxiv.org/abs/0811.3406}, citeulike-linkout-1 = {http://arxiv.org/pdf/0811.3406}, day = {20}, eprint = {0811.3406}, keywords = {bessel-function, chemistry, overlap-integral}, month = {Nov}, posted-at = {2008-11-21 08:53:10}, priority = {2}, title = {The strange history of B functions or how theoretical chemists and mathematicians do (not) interact}, url = {http://arxiv.org/abs/0811.3406}, year = {2008} }

TY - JOUR ID - citeulike:3641690 L3 - citeulike-article-id:3641690 N2 - $B$ functions are a class of relatively complicated exponentially decaying basis functions. Since 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. TI - The strange history of B functions or how theoretical chemists and mathematicians do (not) interact KW - bessel-function KW - chemistry KW - overlap-integral AU - Weniger, Ernst PY - 2008/Nov/20/ UR - http://arxiv.org/abs/0811.3406 ER -