SPHERICALLY AVERAGED MOLECULAR ELECTRON-DENSITIES AND RADIAL MOMENTS IN POSITION AND MOMENTUM SPACES

Authors
Citation
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
Citations number
30
Categorie Soggetti
Physics, Atomic, Molecular & Chemical",Optics
ISSN journal
09534075
Volume
27
Issue
21
Year of publication
1994
Pages
5159 - 5173
Database
ISI
SICI code
0953-4075(1994)27:21<5159:SAMEAR>2.0.ZU;2-Y
Abstract
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.