Compact expressions for spherically averaged position and momentum densities
Compact expressions for spherically averaged position and momentum density integrals are given in terms of spherical Bessel functions (j(n)) and modified spherical Bessel functions (i(n)), 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...[Show more]
|Collections||ANU Research Publications|
|Source:||The Journal of Chemical Physics|
|01_Crittenden_Compact_expressions_for_2009.pdf||458.52 kB||Adobe PDF|
Items in Open Research are protected by copyright, with all rights reserved, unless otherwise indicated.