THE RAMSAUER MINIMUM OF METHANE

Citation
Fa. Gianturco et al., THE RAMSAUER MINIMUM OF METHANE, Journal of physics. B, Atomic molecular and optical physics, 28(7), 1995, pp. 1287-1300
Citations number
22
Categorie Soggetti
Physics, Atomic, Molecular & Chemical",Optics
ISSN journal
09534075
Volume
28
Issue
7
Year of publication
1995
Pages
1287 - 1300
Database
ISI
SICI code
0953-4075(1995)28:7<1287:TRMOM>2.0.ZU;2-C
Abstract
Vibrationally elastic, rotationally-summed cross sections for electron collisions with CH4 are calculated with ab initio static + exchange ( SE) interactions and using a symmetry-adapted, single-centre expansion (SCE) representation for the close-coupled (CC) equations. The dynami cal correlation forces are included through a local density-functional theory (DFT) approach. Both integral and differential cross sections are calculated at the Ramsauer-Townsend (RT) minimum and at energies c lose to it. Comparisons with experiments and with previous calculation s show that the present approach exhibits one of the best overall acco rds with measurements while still keeping the computational effort wit hin modest limits.