MULTICHANNEL CONTINUUM STATES BY A LEAST-SQUARES APPROACH IN A SPLINEBASIS - APPLICATION TO HE-PHOTOIONIZATION AND H-PHOTOIONIZATION

Citation
P. Decleva et al., MULTICHANNEL CONTINUUM STATES BY A LEAST-SQUARES APPROACH IN A SPLINEBASIS - APPLICATION TO HE-PHOTOIONIZATION AND H-PHOTOIONIZATION, Journal of physics. B, Atomic molecular and optical physics, 27(20), 1994, pp. 4867-4889
Citations number
74
Categorie Soggetti
Physics, Atomic, Molecular & Chemical",Optics
ISSN journal
09534075
Volume
27
Issue
20
Year of publication
1994
Pages
4867 - 4889
Database
ISI
SICI code
0953-4075(1994)27:20<4867:MCSBAL>2.0.ZU;2-G
Abstract
A recently proposed algorithm for the determination of the continuum w avefunction employing a B-spline basis set expansion and a least-squar es approach is extended to a full multichannel formulation employing a general close coupling expansion of the continuum wavefunction. Photo ionization of the He atom up to the n=4 threshold and H- up to the n=3 threshold are described with a pure close coupling wavefunction (16 a nd 9 channels respectively), and an accurate full CI expansion for the ground state. Excellent agreement with previous accurate calculations is obtained for total and partial cross sections, resonance parameter s and angular distributions. For He a nine-channel wavefunction allows photoionization to be described up to 2 keV. Modification of the boun dary conditions to describe long Rydberg series is successfully tested . The proposed algorithm appears to be a general and flexible approach for the description of multichannel continuum wavefunctions by basis set expansion.