Jh. Wang et Vh. Smith, SPHERICALLY AVERAGED MOLECULAR ELECTRON-DENSITIES AND RADIAL MOMENTS IN POSITION AND MOMENTUM SPACES, Journal of physics. B, Atomic molecular and optical physics, 27(21), 1994, pp. 5159-5173
Analytical expressions for the spherically averaged molecular charge d
istributions and radial moments in position and momentum space have be
en formulated. Calculations of radial moments with both self-consisten
t-held and configuration interaction wavefunctions have been carried o
ut for 22 molecules in their ground states. The applications of the cu
rrent results in density functional theory are discussed.