Bernard YACrittenden, Deborah2023-03-222023-03-222009Crittenden DL, Bernard YA (2009). Compact expressions for spherically-averaged position and momentum densities. Journal of Chemical Physics. 131(5). 7pp-.0021-96061089-7690https://hdl.handle.net/10092/105278Compact expressions for spherically averaged position and momentum density integrals are given in terms of spherical Bessel functions (jn) and modified spherical Bessel functions (in), respectively. All integrals required for ab initio calculations involving s, p, d, and f -type Gaussian functions are tabulated, highlighting a neat isomorphism between position and momentum space formulae. Spherically averaged position and momentum densities are calculated for a set of molecules comprising the ten-electron isoelectronic series (Ne- CH4) and the eighteen-electron series (Ar- SiH 4, F2 - C2 H6). © 2009 American Institute of Physics.enAll rights reserved unless otherwise statedab initio calculationsargonBessel functionsfluorineGaussian processesisoelectronic seriesmolecular configurationsneonorganic compoundsJournal Article2023-02-1302 Physical Sciences03 Chemical Sciences09 EngineeringFields of Research::34 - Chemical sciences::3407 - Theoretical and computational chemistry::340701 - Computational chemistryFields of Research::34 - Chemical sciences::3407 - Theoretical and computational chemistry::340704 - Theoretical quantum chemistryhttp://doi.org/10.1063/1.3204011